RE García, ACE Reid, SA Langer, WC Carter”Microstructural modeling of multifunctional material properties: the OOF project” Continuum Scale Simulation of Engineering Materials: Fundamentals-Microstructures-Process Applications, 573-587. Wiley‐VCH Verlag GmbH & Co. KGaA, 2005.
Abstract
Recent advances in and applications of the public domain Object Oriented Finite Element software for Materials Science (OOF) are discussed. The OOF software calculates the macroscopic properties from two-dimensional microstructures. It operates directly from microstruc- tural image data to create a computational model that has the same spatial properties as the two-dimensional material microstructure. Recent progress in the code accounts for applied continuum thermal, electrostatic, elastic and chemical potential fields and how they are lo- cally coupled through properties at a microstructural level. We illustrate the application of the software by computing the macroscopic properties of polycrystalline piezoelectrics. We also demonstrate the effect of microstructure on the response of a porous cathode in a rechargeable lithium ion battery and calculate the resulting chemically induced (Vegard) stresses. We also discuss the impending public release of the OOF2 code, which allows the user to simulate nearly arbitrary sets of applied fields and nearly arbitrary material constitutive equations in microstructures, using an intuitive graphical interface.
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RE García, Y-M Chiang, W C. Carter, P Limthongkul, CM Bishop "Microstructural modeling and design of rechargeable lithium-ion batteries" Journal of the Electrochemical Society, 152:A255, 2005. ABSTRACT The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic properties of their constituent materials as well as by their underlying…
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AJ Magana, RE García "FiPy and OOF: Computational simulations for modeling and simulation of computational materials." Proceedings of the 117th Annual Conference of the American Society of Engineering Education (ASEE), Louisville, Kentucky, June. 20-23, 2010. Abstract Modeling and simulation of materials has been identified as one relevant skill for undergraduate and…
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S Leach, RE García "Microstructural Modeling of Ferroelectric Materials: State of the Art, Challenges and Opportunities." Materials Science Forum. 606:119-134, 2009. Abstract In the last ten years of ongoing research in the modeling of polycrystalline ferroelectric ceramics a myriad of analytical and numerical implementations have emerged to predict and support the…
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