A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films

M. Jamshidian, T Prakash G. Thamburaja, T. Rabczuk

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substrate and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms.

Original languageEnglish
Pages (from-to)779-798
Number of pages20
JournalJournal of Computational Physics
Volume327
DOIs
Publication statusPublished - 15 Dec 2016

Fingerprint

Grain growth
Thin films
textures
thin films
Textures
Constitutive models
polyimides
Interfacial energy
Polyimides
surface energy
Elasticity
elastic properties
grain size
Statistics
statistics
Annealing
Copper
copper
Crystals
annealing

Keywords

  • Constitutive modeling
  • Finite element method
  • Grain growth
  • Numerical simulations
  • Phase-field method
  • Polycrystalline thin film

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)
  • Computer Science Applications

Cite this

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title = "A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films",
abstract = "A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substrate and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms.",
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AU - Jamshidian, M.

AU - G. Thamburaja, T Prakash

AU - Rabczuk, T.

PY - 2016/12/15

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N2 - A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substrate and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms.

AB - A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substrate and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms.

KW - Constitutive modeling

KW - Finite element method

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KW - Numerical simulations

KW - Phase-field method

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