Atomistic Simulations of Grain Boundary Pinning in CuFe Alloys

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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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Zepeda-Ruiz, L A; Gilmer, G H; Sadigh, B; Caro, J A & Oppelstrup, T May 22, 2005.

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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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PDF-file: 11 pages; size: 1.3 Mbytes

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  • Journal Name: Applied Physics Letters; Journal Volume: 87; Journal Issue: 23

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  • Report No.: UCRL-JRNL-212649
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 878232
  • Archival Resource Key: ark:/67531/metadc878080

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  • May 22, 2005

Added to The UNT Digital Library

  • Sept. 21, 2016, 2:29 a.m.

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  • Dec. 9, 2016, 3:28 p.m.

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Zepeda-Ruiz, L A; Gilmer, G H; Sadigh, B; Caro, J A & Oppelstrup, T. Atomistic Simulations of Grain Boundary Pinning in CuFe Alloys, article, May 22, 2005; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc878080/: accessed August 15, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.