Materials Genome Initiative for Global Competitiveness
Computational Science, Energy
NAISE brings together Argonne’s and Northwestern’s strengths in materials, scientific computation, energy and nanoscience to focus on research related to the Materials Genome Initiative for Global Competitiveness.
Recently announced by the Obama administration, the Initiative focuses on an integrated computational and experimental approach to the design of materials. With the ability to compute the properties of multiphase multicomponent materials, and to verify these codes experimentally, it is possible to design materials prior to synthesis in the laboratory. This process can speed materials to the marketplace by drastically reducing testing and verification times.
Just as bioinformatics has impacted the field of molecular biology, this new approach to materials design promises a similar effect. New materials resulting from this process will address the nation’s challenges in energy, national security, and human health.
- PROJECT: Mesoscale Electrochemical Modeling
This project is aimed at developing a scalable mesoscale computational model for the Li insertion process that accompanies the charge and discharge cycles in materials that are used for cathodes in Li-ion batteries. The code will be developed such that it can be used to assess reliability and guide the design of future materials.