Dislocation transmission across Σ3{112} incoherent twin boundary: a combined atomistic and phase-field study

Ma, Tengfei; Kim, Hyojung; Mathew, Nithin; Luscher, Darby Jon; Cao, Lei; Hunter, Abigail

doi:10.1016/j.actamat.2021.117447

Dislocation transmission across Σ3{112} incoherent twin boundary: a combined atomistic and phase-field study

Journal Article · Wed Nov 03 00:00:00 EDT 2021 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2021.117447· OSTI ID:1865005

Ma, Tengfei ^[1]; ^[2]; ^[2]; ^[2]; Cao, Lei ^[1]; ^[2]

Univ. of Nevada, Reno, NV (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Grain boundaries (GBs) in polycrystalline materials act as impediments to dislocation motion and result in strengthening. Understanding slip transmission through GBs, specifically twin boundaries, is essential to understand the plastic deformation behavior of polycrystalline fcc materials. Here the interaction between a glide dislocation and Σ3{112} incoherent twin boundary (ITB) in copper is investigated using a combined atomistic and mesoscale approach. The material parameters and structure of the GB in the mesoscale phase field dislocation dynamics (PFDD) model are informed from Molecular Statics (MS) simulations. The structural unit of the ITB consists of an array of three partial dislocations. The interaction between a glide dislocation impinging on each of the GB partial dislocations is investigated using both PFDD and Molecular Dynamics (MD) with two boundary conditions. Transmission planes predicted by both PFDD and MD (NVT) are in agreement, and show that not all transmission events are direct. Critical transmission stresses predicted by PFDD are in the range of 276 MPa to 1380 MPa, while MD predictions are in the range from 100 MPa to 700 MPa. The PFDD and MD predictions of slip transmission are explained using dislocation theory based on isotropic linear elasticity.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 1865005

Report Number(s):: LA-UR-21-23403

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 223; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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