Phase-field modeling of θ′ precipitation kinetics in 319 aluminum alloys

Yanzhou Ji, Bita Ghaffari, Mei Li, Long-qing Chen

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Understanding the morphological evolution of precipitates is critical for evaluating their hardening effects and therefore improving the yield strength of an alloy during aging. Here we present a three-dimensional phase-field model for capturing both the nucleation and the growth kinetics of the precipitates and apply it to modeling θ′ precipitates in 319 aluminum alloys. The model incorporates the relevant thermodynamic data, diffusion coefficients, and the anisotropic misfit strain from literature, together with the anisotropic interfacial energy from first-principles calculations. The modified classical nucleation theory is implemented to capture the nucleation kinetics. The model parameters are optimized by comparing the simulation results to the experimentally measured peak number density, average diameters, average thicknesses and volume fractions of precipitates during isothermal aging at 463 K (190 °C), 503 K (230 °C) and 533 K (260 °C). Further model improvements in terms of prediction accuracy of the precipitate kinetics in 319 alloys and the remaining challenges are discussed.

Original languageEnglish (US)
Pages (from-to)84-94
Number of pages11
JournalComputational Materials Science
Volume151
DOIs
StatePublished - Aug 1 2018

Fingerprint

Phase Field
Aluminum Alloy
Nucleation
aluminum alloys
Precipitates
precipitates
Aluminum alloys
Kinetics
kinetics
Modeling
nucleation
First-principles Calculation
Phase Field Model
Hardening
Volume Fraction
Diffusion Coefficient
Aging of materials
Thermodynamics
Model
interfacial energy

All Science Journal Classification (ASJC) codes

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

Cite this

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Phase-field modeling of θ′ precipitation kinetics in 319 aluminum alloys. / Ji, Yanzhou; Ghaffari, Bita; Li, Mei; Chen, Long-qing.

In: Computational Materials Science, Vol. 151, 01.08.2018, p. 84-94.

Research output: Contribution to journalArticle

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AU - Ji, Yanzhou

AU - Ghaffari, Bita

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AU - Chen, Long-qing

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AB - Understanding the morphological evolution of precipitates is critical for evaluating their hardening effects and therefore improving the yield strength of an alloy during aging. Here we present a three-dimensional phase-field model for capturing both the nucleation and the growth kinetics of the precipitates and apply it to modeling θ′ precipitates in 319 aluminum alloys. The model incorporates the relevant thermodynamic data, diffusion coefficients, and the anisotropic misfit strain from literature, together with the anisotropic interfacial energy from first-principles calculations. The modified classical nucleation theory is implemented to capture the nucleation kinetics. The model parameters are optimized by comparing the simulation results to the experimentally measured peak number density, average diameters, average thicknesses and volume fractions of precipitates during isothermal aging at 463 K (190 °C), 503 K (230 °C) and 533 K (260 °C). Further model improvements in terms of prediction accuracy of the precipitate kinetics in 319 alloys and the remaining challenges are discussed.

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