T_15: Molar Volume and Thermal Expansion Coefficients for L12-type Al3Sc and Al3Zr Compounds

This example calculates volumetric thermal expansion coefficients of the L12-type Al3Sc and the L12-type Al3Zr, respectively. Both Al3Zr and Al3Sc are modeled as the same phase (named as AL3SC, since Al3Sc is stable while Al3Zr is metastable).

The example uses two System Definers and Equilibrium Calculators to plot and compare the molar volume and thermal expansion coefficients of the Al3Sc and Al3Zr binary compounds. It uses the ALDEMO database, which is the free demonstration version of the TCS Al-based Alloy Database (TCAL) and an Experimental File Reader node to read the data from [2015Sah].

  • Folder: Thermo‑Calc
  • File name: T_15_Molar_Volume_and_Thermal_Expansion_Coefficient.tcu

The example includes an experimental data (*.exp) file called Al3X.exp.

The same example is also provided in Console Mode as two separate examples: tcex58 and tcex59.

Visualizations

Many of our Graphical Mode examples have video tutorials, which you can access in a variety of ways. When in Thermo‑Calc, from the menu select Help → Video Tutorials, or from the main My Project window, click Video Tutorials. Alternately, you can go to the website or our YouTube channel.

Open the example project file to review the node setup on the Project window and the associated settings on the Configuration window for each node. For some types of projects, you can also adjust settings on the Plot Renderer Configuration window to preview results before performing the simulation. Click Perform Tree to generate plots and tables to see the results on the Visualizations window.

Comparing the molar volume of both Al3Zr and Al3Sc, which are modeled as the same phase (named as AL3SC, since Al3Sc is stable while Al3Zr is metastable).

Figure 1: Compares the molar volume of both Al3Zr and Al3Sc, which are modeled as the same phase (named as AL3SC, since Al3Sc is stable while Al3Zr is metastable).

Compares volumetric thermal expansion coefficients of the L12-type Al3Sc and the L12-type Al3Zr using theoretical data with quasiharmonic approximation

Figure 2: Compares volumetric thermal expansion coefficients of the L12-type Al3Sc and the L12-type Al3Zr using theoretical data with quasiharmonic approximation from [2015Sah].

Reference

[2015Sah] S. Saha, T. Z. Todorova, J. W. Zwanziger, Temperature dependent lattice misfit and coherency of Al3X (X=Sc, Zr, Ti and Nb) particles in an Al matrix. Acta Mater. 89, 109–115 (2015).

More Information

The thermophysical properties are progressively being added to the Thermo‑Calc databases starting with Thermo‑Calc software version 2020a.

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