Multiscale Modeling for Materials
Yu-Chieh Lo, National Chiao Tung University
I-Ling Chang, National Cheng Kung University
Chang-Wei Huang, Chung Yuan Christian University
Understanding the structure of materials and structure-property connections are key issues for the materials community in concert. A major goal of numerical models and computer simulations in materials science and engineering is the prediction of material properties according to its microstructures. Simulations of microstructure evolution provide state variable values for the prediction of macroscopic material behaviors. Reliable property predictions via simulations of microstructure evolution require not only to encode the abstraction of the underlying individual physical mechanisms of microstructure into numerically precise and efficient models, but also to couple the cooperative effect of individual mechanisms via multi-physics models. This can be achieved by connecting atomistic simulation of fundamental physical processes by bottom-up data transfer strategies to continuum models at the mesoscopic and macroscopic scales.
With this mind, we propose a symposium to bring together the part of the materials modeling community focusing on advancing the frontier of computational theories. We respect theoretical contributions addressing questions like: How to develop better multiscale modeling strategies based on advanced theoretical concepts? What roles mathematics, physics and chemistries play in enabling theoretical advancements in materials science? What are the theoretical challenges facing the field of computational modeling of materials? To maintain focus and have a concrete outcome of this symposium, theoretical contributions are invited in several areas of materials modeling, including atomic scale, spatial and temporal coarse graining theory, mesoscale complexity and microstructure evolution, phase changes, and mechanics. Through the discussion of such topics, the hope is to advance theoretical thinking side by side with computational thinking in the context of multiscale modeling of materials.
Yu-Chieh Lo, National Chiao Tung University
I-Ling Chang, National Cheng Kung University
Chang-Wei Huang, Chung Yuan Christian University
Understanding the structure of materials and structure-property connections are key issues for the materials community in concert. A major goal of numerical models and computer simulations in materials science and engineering is the prediction of material properties according to its microstructures. Simulations of microstructure evolution provide state variable values for the prediction of macroscopic material behaviors. Reliable property predictions via simulations of microstructure evolution require not only to encode the abstraction of the underlying individual physical mechanisms of microstructure into numerically precise and efficient models, but also to couple the cooperative effect of individual mechanisms via multi-physics models. This can be achieved by connecting atomistic simulation of fundamental physical processes by bottom-up data transfer strategies to continuum models at the mesoscopic and macroscopic scales.
With this mind, we propose a symposium to bring together the part of the materials modeling community focusing on advancing the frontier of computational theories. We respect theoretical contributions addressing questions like: How to develop better multiscale modeling strategies based on advanced theoretical concepts? What roles mathematics, physics and chemistries play in enabling theoretical advancements in materials science? What are the theoretical challenges facing the field of computational modeling of materials? To maintain focus and have a concrete outcome of this symposium, theoretical contributions are invited in several areas of materials modeling, including atomic scale, spatial and temporal coarse graining theory, mesoscale complexity and microstructure evolution, phase changes, and mechanics. Through the discussion of such topics, the hope is to advance theoretical thinking side by side with computational thinking in the context of multiscale modeling of materials.
