Constitutive modeling of strain induced grain boundary migration via coupling crystal plasticity and phase-field methods

Abstract We have developed a thermodynamically–consistent finite-deformation-based constitutive theory to describe strain induced grain boundary migration due to the heterogeneity of stored deformation energy in a plastically deformed polycrystalline cubic metal. Considering a representative volume element, a mesoscale continuum theory is developed based on the coupling between dislocation density-based crystal plasticity and phase field methods. Using the Taylor model-based homogenization method, a multiscale coupled finite-element and phase-field staggered time integration procedure is developed and implemented into the Abaqus/Standard finite element package via a user-defined material subroutine. The developed constitutive model is then used to perform numerical simulations of strain induced grain boundary migration in polycrystalline tantalum. The simulation results are shown to qualitatively and quantitatively agree with experimental results.

[1]  G. Wellman,et al.  Simulating Grain Growth in a Deformed Polycrystal by Coupled Finite-Element and Microstructure Evolution Modeling , 2007 .

[2]  N. A. Pedrazas,et al.  A New Route for Growing Large Grains in Metals , 2013, Science.

[3]  P. Beck,et al.  Strain Induced Grain Boundary Migration in High Purity Aluminum , 1950 .

[4]  Morton E. Gurtin,et al.  Dynamic solid-solid transitions with phase characterized by an order parameter , 1994 .

[5]  S. Kalidindi,et al.  Thermomechanical Processing for Recovery of Desired $$ {\left\langle {001} \right\rangle } $$ Fiber Texture in Electric Motor Steels , 2008 .

[6]  B. Appolaire,et al.  Phase field modelling of grain boundary motion driven by curvature and stored energy gradients. Part II: Application to recrystallisation , 2012 .

[7]  T. P. G. Thamburaja,et al.  A multiscale Taylor model-based constitutive theory describing grain growth in polycrystalline cubic metals , 2014 .

[8]  S. Ziaei-Rad,et al.  A finite-deformation dislocation density-based crystal viscoplasticity constitutive model for calculating the stored deformation energy , 2017 .

[9]  Julian H. Driver,et al.  Recrystallization nucleation mechanism along boundaries in hot deformed Al bicrystals , 1999 .

[10]  D. Raabe Recovery and Recrystallization: Phenomena, Physics, Models, Simulation , 2014 .

[11]  Ingo Steinbach,et al.  A generalized field method for multiphase transformations using interface fields , 1999 .

[12]  Timon Rabczuk,et al.  Phase field modelling of stressed grain growth: Analytical study and the effect of microstructural length scale , 2014, J. Comput. Phys..

[13]  J. Ciulik,et al.  Dynamic abnormal grain growth: A new method to produce single crystals , 2009 .

[14]  T. Shibayanagi,et al.  Strain-induced grain boundary migration in {1 1 2} 〈1 1 1〉/{1 0 0} 〈0 0 1〉 and {1 2 3} 〈6 3 4〉/{1 0 0} 〈0 0 1〉 aluminum bicrystals , 2011 .

[15]  T. Rabczuk,et al.  Phase field modeling of ideal grain growth in a distorted microstructure , 2014 .

[16]  Zi-kui Liu,et al.  An integrated fast Fourier transform-based phase-field and crystal plasticity approach to model recrystallization of three dimensional polycrystals , 2015 .

[17]  Herbert F. Wang,et al.  Single Crystal Elastic Constants and Calculated Aggregate Properties. A Handbook , 1971 .

[18]  André Zaoui,et al.  Multislip in f.c.c. crystals a theoretical approach compared with experimental data , 1982 .

[19]  Yunzhi Wang,et al.  An integrated full-field model of concurrent plastic deformation and microstructure evolution: Application to 3D simulation of dynamic recrystallization in polycrystalline copper , 2015, 1509.04953.

[20]  B. Nestler,et al.  Combined crystal plasticity and phase-field method for recrystallization in a process chain of sheet metal production , 2015 .

[21]  R. H. Wagoner,et al.  A dislocation density-based single crystal constitutive equation , 2010 .

[22]  Martin Diehl,et al.  Numerically robust spectral methods for crystal plasticity simulations of heterogeneous materials , 2013 .

[23]  N. Moelans A quantitative and thermodynamically consistent phase-field interpolation function for multi-phase systems , 2011 .

[24]  Morton E. Gurtin,et al.  On the plasticity of single crystals: free energy, microforces, plastic-strain gradients , 2000 .

[25]  Lallit Anand,et al.  Single-crystal elasto-viscoplasticity: application to texture evolution in polycrystalline metals at large strains , 2004 .

[26]  Dierk Raabe,et al.  Coupling of a crystal plasticity finite-element model with a probabilistic cellular automaton for simulating primary static recrystallization in aluminium , 2000 .

[27]  Long-Qing Chen,et al.  A phase-field model of stress effect on grain boundary migration , 2011 .

[28]  Long-Qing Chen Phase-Field Models for Microstructure Evolution , 2002 .

[29]  D. Raabe,et al.  Texture and microstructure of rolled and annealed tantalum , 1994 .

[30]  Victor de Rancourt,et al.  Homogenization of viscoplastic constitutive laws within a phase field approach , 2016 .

[31]  T. Bieler,et al.  Overview of constitutive laws, kinematics, homogenization and multiscale methods in crystal plasticity finite-element modeling: Theory, experiments, applications , 2010 .

[32]  F. J. Humphreys,et al.  Recrystallization and Related Annealing Phenomena , 1995 .

[33]  C. Weinberger,et al.  A physically based model of temperature and strain rate dependent yield in BCC metals: Implementation into crystal plasticity , 2015 .

[34]  L. Anand,et al.  A large-deformation strain-gradient theory for isotropic viscoplastic materials , 2009 .

[35]  S. Forest,et al.  Phase field modelling of grain boundary motion driven by curvature and stored energy gradients. Part I: theory and numerical implementation , 2012 .

[36]  Timon Rabczuk,et al.  A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films , 2016, J. Comput. Phys..

[37]  A. Brahme,et al.  Coupled crystal plasticity – Probabilistic cellular automata approach to model dynamic recrystallization in magnesium alloys , 2015 .

[38]  Max O. Bloomfield,et al.  Stress-Induced Grain Boundary Migration in Polycrystalline Copper , 2008 .

[39]  E. Taleff,et al.  Dynamic Abnormal Grain Growth in Refractory Metals , 2015 .

[40]  I. Steinbach Phase-field models in materials science , 2009 .

[41]  Lallit Anand,et al.  Elasto-viscoplastic constitutive equations for polycrystalline metals: Application to tantalum , 1998 .

[42]  Won Tae Kim,et al.  Computer simulations of two-dimensional and three-dimensional ideal grain growth. , 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.

[43]  Bart Blanpain,et al.  Quantitative analysis of grain boundary properties in a generalized phase field model for grain growth in anisotropic systems , 2008 .

[44]  Lallit Anand,et al.  The stored energy of cold work, thermal annealing, and other thermodynamic issues in single crystal plasticity at small length scales , 2014 .

[45]  M. Gurtin,et al.  Gradient single-crystal plasticity with free energy dependent on dislocation densities , 2007 .

[46]  M. Tonks,et al.  Phase Field Simulations of Elastic Deformation-Driven Grain Growth in 2D Copper Polycrystals , 2011 .

[47]  W. Cai,et al.  Analysis of the elastic strain energy driving force for grain boundary migration using phase field simulation , 2010 .

[48]  I. Szlufarska,et al.  On the plastic driving force of grain boundary migration: A fully coupled phase field and crystal plasticity model , 2017 .

[49]  Y. Yogo,et al.  Strain-induced boundary migration of carbon steel at high temperatures , 2009 .

[50]  E. Holm,et al.  Dynamic abnormal grain growth in tantalum , 2014 .

[51]  J. Jonas,et al.  Dynamic and post-dynamic recrystallization under hot, cold and severe plastic deformation conditions , 2014 .

[52]  T. Takaki,et al.  Multiscale modeling of hot-working with dynamic recrystallization by coupling microstructure evolution and macroscopic mechanical behavior , 2014 .