APPLICATIONS OF THERMO-CALC

High Entropy Alloys

Thermo-Calc can be used to predict thermophysical and phase-based properties as well as to simulate material behavior over the wide range of possible alloy compositions in the HEA space to accelerate alloy design.

Solutions for High Entropy Alloys

High entropy alloys (HEAs) are a new class of materials consisting of more than one principal element in a multicomponent system. They are also known as multi-principal element alloys (MPEAs) or complex concentrated alloys (CCAs). This is an area of fast-paced research where there are as yet no well-established commercial alloys. As such, handbook data is lacking for this class of materials, and additionally, is unsuited to new alloy discovery and design.

Thermo-Calc can be used to calculate materials property data systematically to explore a range of compositions and make predictions of material behavior throughout the materials life cycle.

Calculate the following based on your actual alloy chemistry:

  • Thermophysical properties, such as:
    • Specific heat, enthalpy, latent heat, viscosity, density as a function of temperature, coefficients of thermal expansion, and more
    • Phase-based properties, such as:
      • Critical transformation temperatures such as solvus temperatures of precipitates, amounts and compositions of phases, solubility limits, activities, phase diagrams, and more
        • Determine compositions that lead to single phase
        • Equilibrium and non-equilibrium solidification, such as:
          • Liquidus, solidus, incipient melt temperatures, freezing range, fraction solid curves, solidification path, fraction eutectic, microsegregation, partition coefficients, latent heat, shrinkage, and more
          • Homogenization/Solutionizing:
            • Optimal homogenization temperatures, time needed to homogenize any chemical segregation arising from solidification, and/or dissolve precipitates
            • Aging/Precipitation hardening:
              • Concurrent nucleation, growth/dissolution, coarsening of precipitate phases, volume fraction, and size distribution as a function of time

Application Examples

Thermo-Calc has many applications to high entropy alloys. Below is one such example.

Calculate Multicomponent Phase Diagrams

CoCrFeNi is one of the most studied HEA alloys. It has a narrow solidification temperature range and is single phase disordered FCC_A1 across a wide temperature range. An ordered precipitate phase could increase its high temperature strength. Thermo-Calc can be used to explore chemistry ranges and modifications to tailor phase balance for optimum properties.

This phase diagram for CoCrFeNi-Alx shows how additions of Al change the phase stability. At higher amounts of Al, ordered BCC_B2 phase is predicted to be stable. At even higher Al contents, the matrix phase switches to a BCC_A2 disordered phase.

A plot of an CoCrFeNi-Alx Isoplethal phase diagram.

Learn more about Applications to High Entropy Alloys

Presentation on High Entropy Alloys Database Development

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Mixing Entropy of Exact Equiatomic High-Entropy Alloys Formed into a Single Phase

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Solid Solutions with bcc, hcp, and fcc Structures Formed in a Composition Line in Multicomponent Ir–Rh–Ru–W–Mo System

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