Modeling and Simulation
Advancements in materials science require a thorough understanding of the physical and chemical interactions at many different time and length scales. Simulations of complex coupled processes are highly important not only to assess the quality of the underlying theory and models, but also to predict the outcomes of an experiment.
At Argonne, we are developing methods to couple computer simulations and modeling with experimental image data of materials in action. This can help with validation of computer models, for example for fluid flow in nanoporous materials and Monte Carlo simulations for photon transport, and also provide a way to reduce the need for more expensive experimental efforts by making possible more targeted research and analysis. Augmenting experimentation with modeling and simulation has the potential to greatly accelerate discovery and development processes.