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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.

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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.
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Learn more about Applications to High Entropy Alloys

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

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Using CALPHAD-based Tools for the Study and Design of High Entropy Alloys

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

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Publication

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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Presentation

Presentation on High Entropy Alloys Database Development

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