MATERIALS GENOME®: ESPEI and beyond
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.