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High Entropy Alloys Databases

TCHEA8 is our thermodynamic and properties database designed for use with High Entropy Alloys (HEAs), also known as Multi-principal Element Alloys (MPEA). MOBHEA3 is the corresponding mobility database needed for use with the add-on kinetic modules.

Technical Information Sheet for TCHEA8

Technical Information Sheet for MOBHEA3

Validation and Calculation Examples for TCHEA8

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TCHEA8 Quick Overview

  • PROPERTIES:
    • Gibbs Energy
      • Volume
        • Surface tension of liquid
          • Viscosity of liquid
            • Electrical resistivity
              • Thermal conductivity
                • Elastic constants1
                • ELEMENTS: Al, B, C, Co, Cr, Cu, Fe, Hf, Ir, Mn, Mo, N, Nb, Ni, O, Re, Rh, Ru, Si, Sn, Ta, Ti, V, W, Y, Zn, Zr
                • ASSESSED PHASES: 713
Properties Calculated

TCHEA8 for Thermodynamic and Properties Data

TCHEA8 is a thermodynamic and properties database for High Entropy Alloys, commonly known as HEAs. HEAs are a new class of materials consisting of more than one principal element in a multicomponent system.

The coupling of our CALPHAD-based computational tools and databases allows for a high-fidelity calculation of thermodynamic properties and phase equilibria in multicomponent HEAs, thus shedding light on the formation mechanism and thermodynamic and kinetic stability of HEAs. This provides an efficient way to design HEAs for desired materials properties based on the prediction of microstructures through process optimization.

TCHEA8 was developed to be used with our entire suite of products: Thermo-Calc, the Add-on Modules, and all available SDKs.

MOBHEA3 for Kinetic Data

MOBHEA3 is a corresponding mobility database that provides kinetic data for those working with the add-on kinetic modules – the Diffusion Module (DICTRA) and the Precipitation Module (TC-PRISMA) – as well as a few specific calculation types, such as Scheil with back diffusion. If you do not purchase a license for an add-on kinetic module, you most likely do not need a mobility database. One of our technical sales representatives can help you determine whether your work requires a mobility database.

MOBHEA3 is compatible and recommended to be used in combination with TCHEA8.

Highlights of the New Release

The new version of our High Entropy Alloys Database, TCHEA8, was released with Thermo-Calc 2025b. Read the Release Notes for more details.

  • Adds 1 new element: Oxygen (O) (27 total)
    • Facilitates the study of oxidation behaviors of HEAs and solubility of O in HEAs
    • Adds elastic constants (C11, C12, C13, C33, and C44) for FCC (A1 & L12), BCC (A2 & B2), and HCP (A3) phases
      • The elastic constants description can be used to derive the elastic moduli (bulk modulus, shear modulus, and Young’s modulus) for a single-phase microstructure
      • 173 new phases (713 total)
      • 26 new binary systems (342 total)
      • 117 new ternary systems (643 total)
      • 54 new quaternary systems (all new)
      • 3 new higher order systems (all new)
      • Adds/updates viscosity and surface tension descriptions of the liquid phase for the newly added/updated systems
      • Adds/updates thermal conductivity and electrical resistivity descriptions for all phases including intermetallic phases in addition of BCC (A2 & B2), FCC (A1 & L12) and HCP (A3) solution phases
      • And more!

1: Elastic properties are only available for cubic BCC (A2 and B2), cubic FCC (A1 and L12), and hexagonal HCP (A3) phases.

Applications to High Entropy Alloys
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Publication

Exploring chemistry and additive manufacturing design spaces: a perspective on computationally-guided design of printable alloys

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Webinar

High-Throughput Exploration of Refractory Superalloys with Experimental Verification

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Publication

Navigating the BCC-B2 refractory alloy space: Stability and thermal processing with Ru-B2 precipitates

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