Atomistic Simulations of Grain Boundary Pinning in CuFe Alloys

Zepeda-Ruiz, L A; Gilmer, G H; Sadigh, B; Caro, J A; Oppelstrup, T

doi:10.1063/1.2137871

Title: Atomistic Simulations of Grain Boundary Pinning in CuFe Alloys

Journal Article · Sun May 22 00:00:00 EDT 2005 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.2137871· OSTI ID:878232

Zepeda-Ruiz, L A; Gilmer, G H; Sadigh, B; Caro, J A; Oppelstrup, T

The authors apply a hybrid Monte Carlo-molecular dynamics code to the study of grain boundary motion upon annealing of pure Cu and Cu with low concentrations of Fe. The hybrid simulations account for segregation and precipitation of the low solubility Fe, together with curvature driven grain boundary motion. Grain boundaries in two different systems, a {Sigma}7+U-shaped half-loop grain and a nanocrystalline sample, were found to be pinned in the presence of Fe concentrations exceeding 3%.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 878232

Report Number(s):: UCRL-JRNL-212649; APPLAB; TRN: US200611%%85

Journal Information:: Applied Physics Letters, Vol. 87, Issue 23; ISSN 0003-6951

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
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