Theoretical Modeling

Below are a few examples of theoretical modeling capabilities within the Institute.

Computational Condensed Matter Physics (CCMP) Group

Our goal is significantly to enhance the current understanding of many different kinds of materials (e.g., ferroelectrics, multiferroics, solid solutions, nanostructures, etc..), by discovering new phenomena and identifying their microscopic origins. These insights can have great impacts in designing novel and improved technologies for, e.g., actuators, sensors, sonar-listening devices, ultrasound, communication devices, and energy storage. Such devices are important to national defense, health, energy efficiency, transportation technology and to the so-called “critical materials”  program (which will make the U.S. technology much less dependent on exports).

Nanoscale Material Behavior

Focusing on multiscale structure-property relationships, using atomistic calculations to identify the mechanisms associated with dislocation emission in nanocrystalline metallic materials and relate the plastic behavior of interfaces on the nanoscale to mechanical properties at higher length scales.