Materials can be categorized through performances, properties, microstructures and chemistry. They can be mapped to defects, crystallography, kinetics, and thermodynamics as shown below. The fundamental building block of materials is individual phases.  The properties of individual phases as a function of environmental variables such as temperature, various fields (pressure, stress, magnetic field, electric field, and radiation), and compositions are intrinsic features of materials, while the properties of interfaces can be considered as extrinsic.



The MATERIALS GENOME® engineering services include

·      Development of property databases of individual phases and interfaces between individual phases through first-principles calculations and CALPHAD modeling (see above).  The latest tool being developed is ESPEI.  The properties being modeled are thermodynamics (including heat capacity, thermal expansion), diffusion coefficients, elastic constants, and thermal conductivity with more constantly added.

·      Application of MATERIALS GENOME® and other engineering software and databases for materials development specific to customer’s needs.

·      Short courses on MATERIALS GENOME® and other engineering software and databases.