Phase-field modeling of θ′ precipitation kinetics in W319 alloys

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

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

Understanding and predicting the morphology, kinetics and hardening effects of precipitates are critical in improving the mechanical properties of Al-Cu-based alloys through controlling the temperature and duration of the heat treatment process. In this work, we present a comprehensive phase-field framework for simulating the kinetics of θ′ precipitates in W319 alloys, integrating the thermodynamic and diffusion mobility databases of the system, the key precipitate anisotropic energy contributions from literature and first-principles calculations, as well as a nucleation model based on the classical nucleation theory. By systematically performing phase-field simulations, assuming the precipitate peak number densities determined from experiments, we optimize the model parameters to obtain the best possible match to the average diameters, thicknesses and volume fractions of precipitates from experimental measurements at 190, 230 and 260 °C. With these parameters available, the phase-field simulations can be performed at other aging temperatures. The possible extensions of the current phase-field model for more accurate prediction of the precipitate behaviors in W319 alloys will also be discussed.

Original languageEnglish (US)
Title of host publicationProceedings of the 4th World Congress on Integrated Computational Materials Engineering, ICME 2017
EditorsPaul Mason, Georg J. Schmitz, Amarendra K. Singh, Charles R. Fisher, Alejandro Strachan, Ryan Glamm, Michele V. Manuel
PublisherSpringer International Publishing
Pages293-304
Number of pages12
ISBN (Print)9783319578637
DOIs
StatePublished - Jan 1 2017
Event4th World Congress on Integrated Computational Materials Engineering, ICME 2017 - Ypsilanti, United States
Duration: May 21 2017May 25 2017

Publication series

NameMinerals, Metals and Materials Series
VolumePart F4
ISSN (Print)2367-1181
ISSN (Electronic)2367-1696

Other

Other4th World Congress on Integrated Computational Materials Engineering, ICME 2017
CountryUnited States
City Ypsilanti
Period5/21/175/25/17

Fingerprint

Precipitates
Kinetics
Nucleation
Hardening
Volume fraction
Aging of materials
Heat treatment
Thermodynamics
Mechanical properties
Temperature
Experiments

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Energy Engineering and Power Technology
  • Mechanics of Materials
  • Metals and Alloys
  • Materials Chemistry

Cite this

Ji, Y., Ghaffari, B., Li, M., & Chen, L. (2017). Phase-field modeling of θ′ precipitation kinetics in W319 alloys. In P. Mason, G. J. Schmitz, A. K. Singh, C. R. Fisher, A. Strachan, R. Glamm, & M. V. Manuel (Eds.), Proceedings of the 4th World Congress on Integrated Computational Materials Engineering, ICME 2017 (pp. 293-304). (Minerals, Metals and Materials Series; Vol. Part F4). Springer International Publishing. https://doi.org/10.1007/978-3-319-57864-4_27
Ji, Yanzhou ; Ghaffari, Bita ; Li, Mei ; Chen, Long-qing. / Phase-field modeling of θ′ precipitation kinetics in W319 alloys. Proceedings of the 4th World Congress on Integrated Computational Materials Engineering, ICME 2017. editor / Paul Mason ; Georg J. Schmitz ; Amarendra K. Singh ; Charles R. Fisher ; Alejandro Strachan ; Ryan Glamm ; Michele V. Manuel. Springer International Publishing, 2017. pp. 293-304 (Minerals, Metals and Materials Series).
@inproceedings{abf38522bdad420ba27ae0d99d08bdbd,
title = "Phase-field modeling of θ′ precipitation kinetics in W319 alloys",
abstract = "Understanding and predicting the morphology, kinetics and hardening effects of precipitates are critical in improving the mechanical properties of Al-Cu-based alloys through controlling the temperature and duration of the heat treatment process. In this work, we present a comprehensive phase-field framework for simulating the kinetics of θ′ precipitates in W319 alloys, integrating the thermodynamic and diffusion mobility databases of the system, the key precipitate anisotropic energy contributions from literature and first-principles calculations, as well as a nucleation model based on the classical nucleation theory. By systematically performing phase-field simulations, assuming the precipitate peak number densities determined from experiments, we optimize the model parameters to obtain the best possible match to the average diameters, thicknesses and volume fractions of precipitates from experimental measurements at 190, 230 and 260 °C. With these parameters available, the phase-field simulations can be performed at other aging temperatures. The possible extensions of the current phase-field model for more accurate prediction of the precipitate behaviors in W319 alloys will also be discussed.",
author = "Yanzhou Ji and Bita Ghaffari and Mei Li and Long-qing Chen",
year = "2017",
month = "1",
day = "1",
doi = "10.1007/978-3-319-57864-4_27",
language = "English (US)",
isbn = "9783319578637",
series = "Minerals, Metals and Materials Series",
publisher = "Springer International Publishing",
pages = "293--304",
editor = "Paul Mason and Schmitz, {Georg J.} and Singh, {Amarendra K.} and Fisher, {Charles R.} and Alejandro Strachan and Ryan Glamm and Manuel, {Michele V.}",
booktitle = "Proceedings of the 4th World Congress on Integrated Computational Materials Engineering, ICME 2017",

}

Ji, Y, Ghaffari, B, Li, M & Chen, L 2017, Phase-field modeling of θ′ precipitation kinetics in W319 alloys. in P Mason, GJ Schmitz, AK Singh, CR Fisher, A Strachan, R Glamm & MV Manuel (eds), Proceedings of the 4th World Congress on Integrated Computational Materials Engineering, ICME 2017. Minerals, Metals and Materials Series, vol. Part F4, Springer International Publishing, pp. 293-304, 4th World Congress on Integrated Computational Materials Engineering, ICME 2017, Ypsilanti, United States, 5/21/17. https://doi.org/10.1007/978-3-319-57864-4_27

Phase-field modeling of θ′ precipitation kinetics in W319 alloys. / Ji, Yanzhou; Ghaffari, Bita; Li, Mei; Chen, Long-qing.

Proceedings of the 4th World Congress on Integrated Computational Materials Engineering, ICME 2017. ed. / Paul Mason; Georg J. Schmitz; Amarendra K. Singh; Charles R. Fisher; Alejandro Strachan; Ryan Glamm; Michele V. Manuel. Springer International Publishing, 2017. p. 293-304 (Minerals, Metals and Materials Series; Vol. Part F4).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

TY - GEN

T1 - Phase-field modeling of θ′ precipitation kinetics in W319 alloys

AU - Ji, Yanzhou

AU - Ghaffari, Bita

AU - Li, Mei

AU - Chen, Long-qing

PY - 2017/1/1

Y1 - 2017/1/1

N2 - Understanding and predicting the morphology, kinetics and hardening effects of precipitates are critical in improving the mechanical properties of Al-Cu-based alloys through controlling the temperature and duration of the heat treatment process. In this work, we present a comprehensive phase-field framework for simulating the kinetics of θ′ precipitates in W319 alloys, integrating the thermodynamic and diffusion mobility databases of the system, the key precipitate anisotropic energy contributions from literature and first-principles calculations, as well as a nucleation model based on the classical nucleation theory. By systematically performing phase-field simulations, assuming the precipitate peak number densities determined from experiments, we optimize the model parameters to obtain the best possible match to the average diameters, thicknesses and volume fractions of precipitates from experimental measurements at 190, 230 and 260 °C. With these parameters available, the phase-field simulations can be performed at other aging temperatures. The possible extensions of the current phase-field model for more accurate prediction of the precipitate behaviors in W319 alloys will also be discussed.

AB - Understanding and predicting the morphology, kinetics and hardening effects of precipitates are critical in improving the mechanical properties of Al-Cu-based alloys through controlling the temperature and duration of the heat treatment process. In this work, we present a comprehensive phase-field framework for simulating the kinetics of θ′ precipitates in W319 alloys, integrating the thermodynamic and diffusion mobility databases of the system, the key precipitate anisotropic energy contributions from literature and first-principles calculations, as well as a nucleation model based on the classical nucleation theory. By systematically performing phase-field simulations, assuming the precipitate peak number densities determined from experiments, we optimize the model parameters to obtain the best possible match to the average diameters, thicknesses and volume fractions of precipitates from experimental measurements at 190, 230 and 260 °C. With these parameters available, the phase-field simulations can be performed at other aging temperatures. The possible extensions of the current phase-field model for more accurate prediction of the precipitate behaviors in W319 alloys will also be discussed.

UR - http://www.scopus.com/inward/record.url?scp=85042397109&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85042397109&partnerID=8YFLogxK

U2 - 10.1007/978-3-319-57864-4_27

DO - 10.1007/978-3-319-57864-4_27

M3 - Conference contribution

AN - SCOPUS:85042397109

SN - 9783319578637

T3 - Minerals, Metals and Materials Series

SP - 293

EP - 304

BT - Proceedings of the 4th World Congress on Integrated Computational Materials Engineering, ICME 2017

A2 - Mason, Paul

A2 - Schmitz, Georg J.

A2 - Singh, Amarendra K.

A2 - Fisher, Charles R.

A2 - Strachan, Alejandro

A2 - Glamm, Ryan

A2 - Manuel, Michele V.

PB - Springer International Publishing

ER -

Ji Y, Ghaffari B, Li M, Chen L. Phase-field modeling of θ′ precipitation kinetics in W319 alloys. In Mason P, Schmitz GJ, Singh AK, Fisher CR, Strachan A, Glamm R, Manuel MV, editors, Proceedings of the 4th World Congress on Integrated Computational Materials Engineering, ICME 2017. Springer International Publishing. 2017. p. 293-304. (Minerals, Metals and Materials Series). https://doi.org/10.1007/978-3-319-57864-4_27