Abstract Scope |
The Center for PRedictive Integrated Structural Materials Science (PRISMS) is creating a unique framework for accelerated predictive materials science. 3D simulations and experimental information play an important role in this framework. There are three key elements of the PRISMS framework. This first is a suite of high performance, open-source integrated multi-scale computational tools for predicting 3D microstructural evolution and mechanical behavior of structural metals. Specific modules include real-space DFT, statistical mechanics, phase field and crystal plasticity simulation codes. The second is The Materials Commons, a knowledge repository and virtual collaboration space for archiving and disseminating 3D information. The third element is a set of integrated scientific “Use Cases” in which these computational methods are tightly linked with advanced 3D experimental methods to demonstrate the ability of the PRISMS framework for improving our predictive understanding of magnesium alloys, in particular the influence of microstructure on monotonic and cyclic mechanical behavior. |