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

Abstract

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.

Effect of nonlinear and noncollinear transformation strain pathways in phase-field modeling of nucleation and growth during martensite transformation

“…23,24 It is worth pointing out that Eshelby's pioneering work is also the basis for fast-Fourier-transform (FFT) based schemes for computing the micromechanical fields of periodic heterogeneous materials directly from an image of the microstructure (i.e., image-based approaches), 25,26 as well as the recently emerged FFT-based crystal plasticity models. [27][28][29] Here we extend the PFM theory by taking into account a general nonlinear coupling between OPs and SFTS tensors. Using the generic cubic→tetragonal MT, previously studied by Shen et al using the original PFM theory, 30 as an example, we quantify the differences in the fundamental properties of a critical nucleus and growth kinetics.…”

Comparison of Dislocation Density Tensor Fields Derived from Discrete Dislocation Dynamics and Crystal Plasticity Simulations of Torsion

“…Early CP models connected plastic strain rate to Burgers vectors, velocity and line length density of inherent material dislocations [1][2][3]. More recent models cast this response in a finite deformation framework, and decompose the plastic portion of the velocity gradient into separate contributions from various families of dislocations, each associated with a specific slip system [4][5][6].…”

Microstructure-Informed Cloud Computing for Interoperability of Materials Databases and Computational Models: Microtextured Regions in Ti Alloys

“…The third module includes a collection of materials behavior models such as Taylor-type crystal plasticity models [23], fast Fourier transform-based elastoviscoplastic model [24,25], and an oxygen ingress in titanium model [26]. The goal of this module is to provide easy access to essential but complicated material behavior models that often require significant time and computational skills to code and compile.…”