First-principles calculations and phenomenological modeling of lattice misfit in Ni-base superalloys

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Abstract

An integrated computational approach is proposed for evaluating the lattice misfit between γ and γ′ in Ni-base superalloys by combining first-principles calculations, existing experimental data and phenomenological modeling. In particular, the lattice misfits in Ni-Al and Ni-Al-Mo alloys were studied. This approach is validated by comparing the calculated lattice misfit with available experimental measurements as well as by comparing the predicted γ′ precipitate morphologies from phase-field simulations with experimental observations.

Original languageEnglish (US)
Pages (from-to)196-200
Number of pages5
JournalMaterials Science and Engineering A
Volume431
Issue number1-2
DOIs
StatePublished - Sep 15 2006

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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