Modelling the evolution of phase boundaries in solids at the meso- and nano-scales

Katsuyo Thornton; John Ågren; P. W. Voorhees

doi:10.1016/j.actamat.2003.08.008

Modelling the evolution of phase boundaries in solids at the meso- and nano-scales

Katsuyo Thornton^*, John Ågren, P. W. Voorhees

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

132 Scopus citations

Abstract

Phase boundaries play an important role in setting the properties of multicomponent materials at both the meso- and nano-scales. In this review, we provide an overview of the modelling methods utilized in state-of-the-art research and engineering applications. We review the current physical understanding of how phase boundaries evolve, focusing on multicomponent systems. The recent advances in numerical modelling, fueled by powerful computers, have provided accurate and robust results that allow problems that are beyond the reach of analytic methods to be addressed. While the approaches used in engineering-oriented applications employ simplified microstructures, it is found that such models are quite useful in many problems. The ability to simulate realistic microstructures will further increase the power of materials modelling. We also highlight the differences between the sharp interface and diffuse interface approaches for modelling microstructural evolution. In addition, we identify future research topics in this area.

Original language	English (US)
Pages (from-to)	5675-5710
Number of pages	36
Journal	Acta Materialia
Volume	51
Issue number	19
DOIs	https://doi.org/10.1016/j.actamat.2003.08.008
State	Published - Nov 25 2003

Funding

Authors would like to acknowledge friends and colleagues within the phase transformation community for all the inspiration, for all the stimulating and often animated discussions. We also thank John Lowengrub, Xiaofan Li, Venu Vaithyanathan, and Long-Qing Chen for providing the figures used in this paper. KT and JA thank Dave Rowenhorst, Roberto Mendoza, Joakim Odquist and Anders Petersson for assistance. KT and PWV are grateful for support from NSF DMR Award #0102794.

Keywords

Applications
Diffusion
Driving force
Interfaces
Nucleation
Phase field models
Phase transformations
Sharp interface models
Thermodynamics

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Polymers and Plastics
Metals and Alloys

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10.1016/j.actamat.2003.08.008

Cite this

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title = "Modelling the evolution of phase boundaries in solids at the meso- and nano-scales",

abstract = "Phase boundaries play an important role in setting the properties of multicomponent materials at both the meso- and nano-scales. In this review, we provide an overview of the modelling methods utilized in state-of-the-art research and engineering applications. We review the current physical understanding of how phase boundaries evolve, focusing on multicomponent systems. The recent advances in numerical modelling, fueled by powerful computers, have provided accurate and robust results that allow problems that are beyond the reach of analytic methods to be addressed. While the approaches used in engineering-oriented applications employ simplified microstructures, it is found that such models are quite useful in many problems. The ability to simulate realistic microstructures will further increase the power of materials modelling. We also highlight the differences between the sharp interface and diffuse interface approaches for modelling microstructural evolution. In addition, we identify future research topics in this area.",

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author = "Katsuyo Thornton and John {\AA}gren and Voorhees, {P. W.}",

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PY - 2003/11/25

Y1 - 2003/11/25

N2 - Phase boundaries play an important role in setting the properties of multicomponent materials at both the meso- and nano-scales. In this review, we provide an overview of the modelling methods utilized in state-of-the-art research and engineering applications. We review the current physical understanding of how phase boundaries evolve, focusing on multicomponent systems. The recent advances in numerical modelling, fueled by powerful computers, have provided accurate and robust results that allow problems that are beyond the reach of analytic methods to be addressed. While the approaches used in engineering-oriented applications employ simplified microstructures, it is found that such models are quite useful in many problems. The ability to simulate realistic microstructures will further increase the power of materials modelling. We also highlight the differences between the sharp interface and diffuse interface approaches for modelling microstructural evolution. In addition, we identify future research topics in this area.

AB - Phase boundaries play an important role in setting the properties of multicomponent materials at both the meso- and nano-scales. In this review, we provide an overview of the modelling methods utilized in state-of-the-art research and engineering applications. We review the current physical understanding of how phase boundaries evolve, focusing on multicomponent systems. The recent advances in numerical modelling, fueled by powerful computers, have provided accurate and robust results that allow problems that are beyond the reach of analytic methods to be addressed. While the approaches used in engineering-oriented applications employ simplified microstructures, it is found that such models are quite useful in many problems. The ability to simulate realistic microstructures will further increase the power of materials modelling. We also highlight the differences between the sharp interface and diffuse interface approaches for modelling microstructural evolution. In addition, we identify future research topics in this area.

KW - Applications

KW - Diffusion

KW - Driving force

KW - Interfaces

KW - Nucleation

KW - Phase field models

KW - Phase transformations

KW - Sharp interface models

KW - Thermodynamics

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Modelling the evolution of phase boundaries in solids at the meso- and nano-scales

Abstract

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Keywords

ASJC Scopus subject areas

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