Review and outlook: mechanical, thermodynamic, and kinetic continuum modeling of metallic materials at the grain scale
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Prospective Article
Review and outlook: mechanical, thermodynamic, and kinetic continuum modeling of metallic materials at the grain scale Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH, Max-Planck-Strasse 1, 40237 Düsseldorf, Germany; Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba-City, Ibaraki 305-0047, Japan Address all correspondence to Martin Diehl at [email protected] (Received 15 July 2017; accepted 6 September 2017)
Abstract Continuum modeling approaches are well established in materials science and engineering of metals. They enable the quantitative investigation of diverse questions related to the improved understanding of mechanics and microstructure evolution of various material classes. Applicable to time and length scales relevant in manufacturing and service, continuum modeling approaches are widely used to study engineering-related phenomena such as recrystallization, strain localization, fracture initiation, and phase transformations. However, focusing on individual physical aspects hampers the wider routine use of continuum modeling tools for many engineering applications. With the advent of multi-physics modeling tools developed with the help of and parametrized by (sub-)micrometer-scale simulations and experiments, a huge variety of applications such as hot rolling, bake-hardening, and case-hardening comes within reach for full-field integrated computational materials engineering. Moreover, the integration of experimentally characterized microstructures and the use of user friendly simulation and evaluation tools render powerful modeling approaches feasible for a broad materials science user community. The state of the art and future trends of mechanical, thermodynamic, and kinetic continuum modeling of metallic materials at the grain scale are outlined in this prospective article.
Introduction Continuum modeling approaches are well established and routinely used in materials science and engineering. They enable the quantitative investigation of a broad variety of questions related to the improved understanding of diverse material classes at time at length scales relevant for many engineering applications. More specifically, in the field of metallic structural materials, crystal plasticity[1–3] and continuum damage modeling[4–6] allow the examination of micro-mechanical-related phenomena, phase-field models[7–10] and cellular automata[11] are used to predict microstructure-evolution due to recrystallization and grain growth,[12–15] and thermodynamic data-aware phase-field and cellular automata models describe solid-state phase transitions[16–18] and solidification.[19–22] While there are numerous continuum simulation techniques with specific advantages and disadvantages, this paper focuses on the three most common approaches—cellular automata, phase field, and crystal plasticity modeling —and does not attempt to provide an exhaustive review. Figure 1 briefly sketches the underlying concepts of these
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