Carnegie Mellon University
Defect Engineering MURI

A Thermodynamic Framework for Defect Engineering

About our MURI project

The overarching objective of this MURI project is to develop a thermodynamic framework of defect phases and their evolution laws, validate it with extensive experimental observations, and to use it to generate ideas for new materials with exceptional thermomechanical properties and to understand geological processes.


The behavior and performance of many advanced engineering materials, as well as important geological materials, are strongly influenced by lattice defects, which represent a breakdown of the long-range order in a crystal structure. Despite their importance and the fact that some defect types have been studied for nearly a century, there is, beyond the crystallographic and descriptive point of view, very little fundamental understanding of the thermodynamics and stability of defects, both for isolated defects and for mesoscale arrangements of multiple interacting defects. There is a need for a rigorous thermodynamic framework of defect phases that identifies the relevant intensive variables and evolution laws while respecting all topological and geometric constraints. 

Novel field theories are needed to accurately account for the multiscale nature of defects, including an understanding of mesoscale (between electronic and continuum) interactions between defect phases. Accompanying this is the need for new experimental modalities that can observe defect dynamics and response under thermal, mechanical, and other stimuli. The overarching objective of this MURI project is thus to develop a broad thermodynamic framework of defect phases and their evolution laws, to validate it through extensive experimental observations, and to use it to generate ideas for new materials with exceptional thermomechanical properties as well as an understanding of geological processes of importance in the Earth's mantle.

Learn more about our project mission and research areas.