Atomic-scale arrangement of dislocations at grain-boundary facet junctions

Medlin, Douglas L.; Chen, Elton Yiying; Nathaniel II, James Edward; Dingreville, Rémi Philippe Michel; Carter, C. Barry

doi:10.1016/j.actamat.2025.121068

Atomic-scale arrangement of dislocations at grain-boundary facet junctions

Journal Article · Fri Apr 18 00:00:00 EDT 2025 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2025.121068· OSTI ID:2560542

^[1]; Chen, Elton Yiying ^[2]; Nathaniel II, James Edward ^[1]; ^[2]; ^[3]

Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Univ. of Connecticut, Storrs, CT (United States)

This study investigates the atomic-scale arrangement of dislocations at grain-boundary facet junctions. We focus on the junctions between Σ3 {112} grain-boundary facets (often termed "incoherent" or "lateral" twin boundaries) in face-centered-cubic metals. Planar Σ3 {112} boundaries have long been modeled as dense arrays of Shockley partial dislocations distributed on adjacent {111} planes. Here, we analyze how such dislocations must be arranged at grain-boundary facet junctions. We find that these junctions constrain the sequences of dislocations that can allow for motion of the junctions through coordinated, conservative glide, a result we investigate with complementary molecular-dynamics simulations. For some facet arrangements, namely those for which facets are terminated at both ends by junctions of the same sense, the Shockley partial dislocations must change planes at the junctions, forming $$\frac{a}{2}$$$$\langle$$110$$\rangle$$ unit jogs. Because the unit jogs require the absorption or emission of point defects to move, they will limit motion of facet junctions. Such considerations offer insights into the mechanisms governing grain-boundary junction behavior.

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Research Organization:: Sandia National Laboratories (SNL-CA), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: NA0003525

OSTI ID:: 2560542

Alternate ID(s):: OSTI ID: 2585669

Report Number(s):: SAND--2025-06101J; 1762413

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 292; ISSN 1359-6454

Publisher:: Elsevier BVCopyright Statement

Country of Publication:: United States

Language:: English

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