|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Grain Boundaries and Interfaces: Metastability, Disorder, and Non-Equilibrium Behavior
||G-29: Numerical Determination of the GND Footprint of Dislocation Loops: Connecting Atomistic Descriptions with Experimental Observations
||Sicong He, Jaime Marian
|On-Site Speaker (Planned)
We present a numerical methodology to generate computational Nye-tensor signals for comparison with experimental data in irradiated fine-grained materials. Our approach links atomistic simulations of self-interstitial atom clusters gliding towards low-angle grain boundaries in body-centered cubic iron with experimental renditions of Nye-tensor norm maps to facilitate the interpretation of damage microstructures. The linking component consists of a three-dimensional model that calculates the Nye tensor norm of arbitrary dislocation arrangements and assigns a corresponding signal intensity to each segment to emulate experimental contrast intensities. We demonstrate the potential of the model in interpreting atomistic and experimental data by studying the Nye-tensor signature change for the dislocation loop as its getting absorbed by the grain boundary. We find that the Nye tensor norm behaves qualitatively differently at various stages.
||Computational Materials Science & Engineering, Modeling and Simulation, Other