We use fundamental material parameters that accurately define material microstructure and properties at various length scales. To generate these parameters we integrate or build databases and computational models using information from a variety of sources.
Fundamental Material Parameters
Parameters Evaluated and Modeled
We base our Materials by Design® technology on fundamental material parameters and build databases and mechanistic models that consider multi-component effects at various length scales, such as:
- Thermodynamics
- Bulk (chemical and elastic) – e.g., ThermoCalc or first-principles
- Surface – e.g., surface energy or grain boundary energy segregation
- Kinetics
- Bulk – e.g., atomic mobility and diffusion (using DICTRA)
- Interfacial Diffusion and Mobility
- Defect
- Magnetism
- Electrical and Thermal Conductivity
- Elastic Modulus
- Molar Volume
Parameter Database Development
We integrate material parameter databases and models from a variety of sources such as: our own proprietary data and analysis; doctoral thesis research by individuals; open scientific papers; and existing parameter databases and models in CALPHAD, first principle, and other commercially-available software. Some of our expertise in building accurate material parameter databases and models was developed at the Steel Research Group, a 25-year-established, industry/academia consortium operated at Northwestern University. When needed, we rapidly develop proprietary material parameter databases and models by leveraging proprietary and publicly-available literature, models, and data.
