Geometrically necessary dislocation fingerprints of dislocation loop absorption at grain boundaries

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

2 Scopus Citations
View graph of relations

Author(s)

  • Larissa M. Woryk
  • Sicong He
  • Emily M. Hopkins
  • Chang-Yu Hung
  • Jaime Marian
  • Mitra L. Taheri

Detail(s)

Original languageEnglish
Article number083804
Journal / PublicationPhysical Review Materials
Volume6
Issue number8
Online published25 Aug 2022
Publication statusPublished - Aug 2022

Link(s)

Abstract

We present a numerical methodology to compute the Nye-tensor fingerprints of dislocation loop absorption at grain boundaries (GBs) for comparison with TEM observations of irradiated polycrystals. Our approach links atomistic simulations of self-interstitial atom (SIA) prismatic loops gliding toward and interacting with GBs in body-centered cubic iron with experimentally extracted geometrically necessary dislocation (GND) maps to facilitate the interpretation of damage processes. The Nye-tensor analysis is strongly mesh-size dependent - corresponding to resolution-dependent TEM observations. The method computes GND fingerprints from discretized dislocation line segments extracted from molecular dynamics simulations of dislocation loops being absorbed at a GB. Specifically, we perform MD simulation of prismatic loops of two diameters and monitor the three stages of the absorption process: loop glide, the partial, and full absorption of the loops at a [1 0 0] symmetric tilt GB. These methods provide a framework for future investigations of the nature of defect absorption by grain boundaries under irradiation conditions.

Research Area(s)

Citation Format(s)

Geometrically necessary dislocation fingerprints of dislocation loop absorption at grain boundaries. / Woryk, Larissa M.; He, Sicong; Hopkins, Emily M. et al.
In: Physical Review Materials, Vol. 6, No. 8, 083804, 08.2022.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

Download Statistics

No data available