Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.; Hanks, Byron W.; Foulk, James W.; Battaile, Corbett C.

doi:10.1088/0965-0393/24/4/045016

Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

Journal Article · Mon Apr 25 00:00:00 EDT 2016 · Modelling and Simulation in Materials Science and Engineering

DOI:https://doi.org/10.1088/0965-0393/24/4/045016· OSTI ID:1263647

Lim, Hojun ^[1]; Abdeljawad, Fadi ^[1]; Owen, Steven J. ^[1]; Hanks, Byron W. ^[1]; Foulk, James W. ^[2]; Battaile, Corbett C. ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sandia National Lab. (SNL-CA), Livermore, CA (United States)

Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FE meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1263647

Alternate ID(s):: OSTI ID: 22747910

Report Number(s):: SAND--2015-9330J; 644874

Journal Information:: Modelling and Simulation in Materials Science and Engineering, Journal Name: Modelling and Simulation in Materials Science and Engineering Journal Issue: 4 Vol. 24; ISSN 0965-0393

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Reduced partitioning of plastic strain for strong and yet ductile precipitate-strengthened alloys. Jones, Rd; Di Gioacchino, Fabio; Lim, H. Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.28120	text	January 2018

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