ME-Databases

MatCalc Engineering offers CALPHAD-type thermodynamic databases for steel, aluminum and nickel-base alloys. These databases contain data for both, stable and metastable, phases that are especially optimized for kinetic simulations. They have been developed after critical assessment of all relevant experimental and theoretical information, followed by optimization and will be continuously expanding with proven industry validated properties.

ME-Fe database

Database included elements: Fe, Al, B, C, Co, Cr, Cu, H, Hf, La, Mn, Mo, N, Nb, Ni, O, P, Pd, S, Si, Ti, V, W, Y, Ta

Some standard applications: Calculations of multi-component phase equilibria and thermokinetic precipitation simulations in tool steels, micro-alloyed steels, 9-12% Cr-steels, PH maraging steels, austenitic stainless steels.

Special simulations: Coupled nitride/sulfide precipitation in micro-alloyed steels, early precipitation of carbon clusters in tempered martensite, gamma´-precipitation in Ti-alloyed irradiated austenitic steels.

Figure 1. Calculated thermodynamic solvi of metastable Carbon-cluster and transition carbides in the Fe-C system.

ME-Al database

Database included elements: Al, Cr, Cu, Fe, Li, Mg, Mn, Ni, Sc, Si, Sn, Ti, Zn, Zr

Some standard applications: determination of solvus temperatures of metastable co-clusters and precipitates, determination of stabilities of AlFeMnSi dispersoids, thermokinetic precipitation simulations in AA2xxx, AA6xxx and AA7xxx alloys.

Special simulations: Phase equilibria and thermo-kinetic precipitation simulations of specially alloyed Al-alloys: AA-Li, AA-Sc, AA-Sn.

Figure 1. Calculated thermodynamic standard data of metastable intermetallic phases in the system Al-Mg-Si at room temperature.

ME-Ni database

Database included elements: Ni, Al, B, C, Co, Cr, Cu, Fe, Hf, La, Mn, Mo, N, Nb, O, Re, Ru, S, Si, Ta, Ti, V, W, Y, Zr

Some standard applications: Determination of gamma´ solvus temperatures as a function of alloying in multi-component wrought and cast polycrystalline Ni-base superalloys, thermokinetic precipitation simulations in Fe-Cr-alloyed Ni-base superalloys.

Special simulations: Determination of phase relations and precipitate evolution in a variety of single-crystal Ni-base superalloys, bimodal to multimodal precipitate distributions.

Figure 1. Calculated thermodynamic stabilities of intermetallic precipitate phases in 718-type Ni-base superalloy with varying Co- and Al-alloying. Two different Eta-phases, either Ti- (η) or Al- and Nb-rich (η*), occur at different nominal Al/Ti ratios.

Customer specific databases

Technological database development

Thermodynamic and mobility databases are the pre-requisite for predictive kinetic simulations of precipitation and microstructural evolution. We can tailor special databases for the optimization of special technological products in terms of alloying and processing (thermo-mechanical treatments and their effects on phase transformations, precipitation and strengthening). Read more