Phase field modeling of defects and deformation

Wang, Yunzhi; Li, Ju

doi:10.1016/j.actamat.2009.10.041

Cited by 397 publications

(216 citation statements)

References 324 publications

Supporting

Mentioning

196

Contrasting

Unclassified

Order By: Relevance

“…40 . It may also be possible to incorporate such descriptions of defect migration mechanisms into dislocation dynamics 90,91 or phase field models 92 .…”

Section: Discussionmentioning

confidence: 99%

Formation, migration, and clustering of delocalized vacancies and interstitials at a solid-state semicoherent interface

Kolluri

Demkowicz

2012

Phys. Rev. B

View full text Add to dashboard Cite

Atomistic simulations are used to study the formation, migration, and clustering of delocalized vacancies and interstitials at a model fcc-bcc semicoherent interface formed by adjacent layers of Cu and Nb. These defects migrate between interfacial trapping sites through a multi-step mechanism that may be described using dislocation mechanics. Similar mechanisms operate in the formation, migration, and dissociation of interfacial point defect clusters. Effective migration rates may be computed using the harmonic approximation of transition state theory with a temperature dependent prefactor. Our results demonstrate that delocalized vacancies and interstitials at some interfaces may be viewed as genuine defects, albeit governed by mechanisms of higher complexity than conventional point defects in crystalline solids.2

show abstract

“…40 . It may also be possible to incorporate such descriptions of defect migration mechanisms into dislocation dynamics 90,91 or phase field models 92 .…”

Section: Discussionmentioning

confidence: 99%

Formation, migration, and clustering of delocalized vacancies and interstitials at a solid-state semicoherent interface

Kolluri

Demkowicz

2012

Phys. Rev. B

View full text Add to dashboard Cite

show abstract

“…On the other hand, the microstructural evolution in crystals, such as grain growth (Chen and Yang, 1994;Kazaryan et al, 2002;Moelans et al, 2008b), static recrystallization (Moelans et al, 2013), rafting in superalloy (Zhou et al, 2010;Gaubert et al, 2010) and many other phenomena (Chen, 2002;Wang and Li, 2010) have been well studied using phase-field (PF) simulations. The nonboundary tracking field description of microstructures and the incorporation of thermodynamics-based free energy formulation have made PF a very powerful and robust tool in simulating and predicting the microstructural evolution often in a quantitative manner (Chen, 2002;Boettinger et al, 2002;Shen et al, 2004;Moelans et al, 2008b;Steinbach, 2009;Wang and Li, 2010).…”

Section: Introductionmentioning

confidence: 99%

“…At the mesoscale, this understanding has been implemented into physics-based constitutive theories (Arsenlis and Parks, 2002;Arsenlis et al, 2004;Cheong and Busso, 2004;Ma et al, 2006;Gao and Huang, 2003;Beyerlein and Tomé, 2008) and implemented into homogenized deformation models such as self-consistent schemes (Lebensohn and Tomé, 1993;Niezgoda et al, 2014) or full-field simulations such as finite element based crystal plasticity (FE-CP) (Kalidindi et al, 1992;Beaudoin et al, 1995;Roters et al, 2010) or fast Fourier transform (FFT) based crystal plasticity (FFT-CP) models (Lebensohn, 2001;Lebensohn et al, 2012;Eisenlohr et al, 2013). On the other hand, the microstructural evolution in crystals, such as grain growth (Chen and Yang, 1994;Kazaryan et al, 2002;Moelans et al, 2008b), static recrystallization (Moelans et al, 2013), rafting in superalloy (Zhou et al, 2010;Gaubert et al, 2010) and many other phenomena (Chen, 2002;Wang and Li, 2010) have been well studied using phase-field (PF) simulations. The nonboundary tracking field description of microstructures and the incorporation of thermodynamics-based free energy formulation have made PF a very powerful and robust tool in simulating and predicting the microstructural evolution often in a quantitative manner (Chen, 2002;Boettinger et al, 2002;Shen et al, 2004;Moelans et al, 2008b;Steinbach, 2009;Wang and Li, 2010).…”

Section: Introductionmentioning

confidence: 99%

An integrated full-field model of concurrent plastic deformation and microstructure evolution: Application to 3D simulation of dynamic recrystallization in polycrystalline copper

Zhao

Low

Wang

et al. 2016

International Journal of Plasticity

Self Cite

105

View full text Add to dashboard Cite

Many time-dependent deformation processes at elevated temperatures produce significant concurrent microstructure changes that can alter the mechanical properties in a profound manner. Such microstructure evolution is usually absent in mesoscale deformation models and simulations. Here we present an integrated full-field modeling scheme that couples the mechanical response with the underlying microstructure evolution. As a first demonstration, we integrate a fast Fourier transform-based elasto-viscoplastic (FFT-EVP) model with a phase-field (PF) recrystallization model, and carry out three-dimensional simulations of dynamic recrystallization (DRX) in polycrystalline copper. A physics-based coupling between FFT-EVP and PF is achieved by (1) adopting a dislocation-based constitutive model in FFT-EVP, which allows the predicted dislocation density distribution to be converted to a stored energy distribution and passed to PF, and (2) implementing a stochastic nucleation model for DRX. Calibrated with the experimental DRX stress-strain curves, the integrated model is able to deliver full-field mechanical and microstructural information, from which quantitative description and analysis of DRX can be achieved. It is suggested that the initiation of DRX occurs significantly earlier than previous predictions, due to heterogeneous deformation. DRX grains are revealed to form at both grain boundaries and junctions (e.g., quadruple junctions) and tend to grow in a wedge-like fashion to maintain a triple line (not necessarily in equilibrium) with old grains. The resulting stress redistribution due to strain compatibility is found to have a profound influence on the subsequent dislocation evolution and softening.

show abstract

“…in Refs. [115,[164][165][166][167][168][169][170][171]. Different numerical methods can be used to solve them.…”

Section: Numerical Issuesmentioning

confidence: 99%

Continuum modelling of semiconductor heteroepitaxy: an applied perspective

Bergamaschini

Salvalaglio

Backofen

et al. 2016

Advances in Physics: X

View full text Add to dashboard Cite

Semiconductor heteroepitaxy involves a wealth of qualitatively different, competing phenomena. Examples include threedimensional island formation, injection of dislocations, mixing between film and substrate atoms. Their relative importance depends on the specific growth conditions, giving rise to a very complex scenario. The need for an optimal control over heteroepitaxial films and/or nanostructures is widespread: semiconductor epitaxy by molecular beam epitaxy or chemical vapour deposition is nowadays exploited also in industrial environments. Simulation models can be precious in limiting the parameter space to be sampled while aiming at films/nanostructures with the desired properties. In order to be appealing (and useful) to an applied audience, such models must yield predictions directly comparable with experimental data. This implies matching typical time scales and sizes, while offering a satisfactory description of the main physical driving forces. It is the aim of the present review to show that continuum models of semiconductor heteroepitaxy evolved significantly, providing a promising tool (even a working tool, in some cases) to comply with the above requirements. Several examples, spanning from the nanometre to the micron scale, are illustrated. Current limitations and future research directions are also discussed.

show abstract

Phase field modeling of defects and deformation

Cited by 397 publications

References 324 publications

Formation, migration, and clustering of delocalized vacancies and interstitials at a solid-state semicoherent interface

Formation, migration, and clustering of delocalized vacancies and interstitials at a solid-state semicoherent interface

An integrated full-field model of concurrent plastic deformation and microstructure evolution: Application to 3D simulation of dynamic recrystallization in polycrystalline copper

Continuum modelling of semiconductor heteroepitaxy: an applied perspective

Contact Info

Product

Resources

About