Journal
NPJ COMPUTATIONAL MATERIALS
Volume 8, Issue 1, Pages -Publisher
NATURE PORTFOLIO
DOI: 10.1038/s41524-022-00764-0
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Funding
- Deutsche Forschungsgemeinschaft (DFG) [RA 659/23]
- Dutch government [T17019e]
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This paper explores the complex interplay between chemistry, microstructure, and behavior of engineering materials, utilizing computational modeling methods such as continuum thermodynamics, phase-field methods, and crystal plasticity. These models facilitate the understanding of multiple physical mechanisms and their interactions during microstructure evolution.
The complex interplay between chemistry, microstructure, and behavior of many engineering materials has been investigated predominantly by experimental methods. Parallel to the increase in computer power, advances in computational modeling methods have resulted in a level of sophistication which is comparable to that of experiments. At the continuum level, one class of such models is based on continuum thermodynamics, phase-field methods, and crystal plasticity, facilitating the account of multiple physical mechanisms (multi-physics) and their interaction during microstructure evolution. This paper reviews the status of simulation approaches and software packages in this field and gives an outlook towards promising research directions.
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