About the TCHEA Examples

For the studies related to high entropy alloys (HEAs), this selection of examples demonstrate the calculation capacity of available tools such as the thermodynamic and properties databases, the kinetic databases, and the many features available in Thermo‑Calc both in Graphical and Console Mode.

The TCHEA Calculation Examples and TCHEA Validation Examples are performed using the thermodynamic database TCS High Entropy Alloys Database (TCHEA) and the Thermo‑Calc software. These examples focus on the equilibrium calculations, especially the stability of primary phases.

This collection includes the calculations of various thermodynamic and physicochemical properties and different types of process simulations. Classical calculations on equilibrium phase stabilities of FCC, BCC, and HCP MEAs and HEAs are first demonstrated. It followed by the examples on other properties accessible through calculations using Thermo‑Calc (and Add-on Modules). These properties of HEAs include density, thermal conductivity, electrical resistivity, viscosity, surface tension and yield strength. In the end, different simulations are demonstrated include solidification process, diffusion and precipitation.

The TCHEA database is a key materials genome for the design of novel HEAs with superior mechanical and physicochemical properties by integrated computational materials engineering (ICME) method. Solidification process during the casting and phase transformations such as precipitations during annealing can be simulated using TCS High Entropy Alloys Database (TCHEA)and the TCS High Entropy Alloy Mobility Database (MOBHEA) using the advanced features available with Add-on Modules in Thermo‑Calc, for example using the Diffusion Calculator or Precipitation Calculator with the Diffusion Module (DICTRA) or Precipitation Module (TC-PRISMA), respectively.