Effects of solutes on dislocation nucleation from grain boundaries

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.

doi:10.1016/j.ijplas.2016.12.009

Effects of solutes on dislocation nucleation from grain boundaries

Journal Article · Tue Dec 27 00:00:00 EST 2016 · International Journal of Plasticity

DOI:https://doi.org/10.1016/j.ijplas.2016.12.009· OSTI ID:1355410

Borovikov, Valery ^[1]; Mendelev, Mikhail I. ^[1]; King, Alexander H. ^[2]

Ames Lab., Ames, IA (United States). Division of Materials Sciences and Engineering
Ames Lab., Ames, IA (United States). Division of Materials Sciences and Engineering; Iowa State Univ., Ames, IA (United States). Dept. of Materials Science and Engineering

When grain sizes are reduced to the nanoscale, grain boundaries (GB) become the dominant sources of the dislocations that enable plastic deformation. Here, we present the first molecular dynamics (MD) study of the effect of substitutional solutes on the dislocation nucleation process from GBs during uniaxial tensile deformation. A simple bi-crystal geometry is utilized in which the nucleation and propagation of dislocations away from a GB is the only active mechanism of plastic deformation. Solutes with atomic radii both larger and smaller than the solvent atomic radius were considered. Although the segregation sites are different for the two cases, both produce increases in the stress required to nucleate a dislocation. MD simulations at room temperature revealed that this increase in the nucleation stress is associated with changes of the GB structure at the emission site caused by dislocation emission, leading to increases in the heats of segregation of the solute atoms, which cannot diffuse to lower-energy sites on the timescale of the nucleation event. These results contribute directly to understanding the strength of nanocrystalline materials, and suggest suitable directions for nanocrystalline alloy design leading toward structural applications.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1355410

Alternate ID(s):: OSTI ID: 1396622

Report Number(s):: IS-J--9265; PII: S0749641916303539

Journal Information:: International Journal of Plasticity, Journal Name: International Journal of Plasticity Journal Issue: C Vol. 90; ISSN 0749-6419

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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