Exhibitor of MSE2018: Thermo-Calc Software

Thermo-Calc Software is a leading developer of software and databases for calculations involving computational thermodynamics and diffusion-controlled simulations. The software is evolving quickly with new features and functionalities being added constantly. Calculations are based on thermodynamic and kinetic databases produced by the CALPHAD method that are available for a large number of ferrous, non-ferrous and also non-metallic materials.

Thermo-Calc: is the engine for all thermodynamic and kinetic calculations. It is used for calculating stable and metastable phase equilibria, binary-, ternary- and multi-component phase diagrams and liquidus projections, phase fractions in function of temperature or composition, driving force for phase transformations, Scheil solidification simulations, Pourbaix diagrams and other calculations involving aqueous solutions, volume in function of temperature and composition, lattice mismatch, etc... Software Development Kits are available which enable Thermo-Calc to be called directly from in-house developed software or MATLAB™.

Diffusion Module DICTRA: for accurate simulations of diffusion in or between multicomponent alloys, homogenization, dissolution of precipitates, diffusion-controlled growth of phases, coarsening or Ostwald ripening, micro-segregation during solidification, carburization, nitriding, diffusion in a temperature gradient, etc... The driving force for diffusion is calculated by Thermo-Calc using the thermodynamic databases, element mobilities are from matching self-consistent multicomponent mobility databases.

Precipitation Module TC-PRISMA: for predictions of concurrent nucleation, growth, dissolution and coarsening of precipitate phases. Calculation of evolution of particle size distribution in function of time and temperature, time-temperature-precipitation, continuous-cooling-transformation diagrams, volume fraction and composition of precipitates, nucleation rate. Particle morphology (sphere, needle, plate), lattice strain and different types of nucleation sites can be taken into account.

Databases: The true power of Thermo-Calc and its add-on kinetic modules lies in the massive materials databases, that have been developed both in-house and through multinational scientific collaboration projects with industrial and academic partners. The databases have grown and been refined for decades now, but they only recently reached the point of being applicable for true, real-life alloys, containing well over 10 alloying elements along with metallic and non-metallic impurities. Such complex systems are routinely and reliably handled with Thermo-Calc even for very high alloy contents of 30 wt% and above, where less sophisticated models based on dilute solutions simply break-down. Databases are available for many systems including Steels and Fe alloys, Ni based superalloys, Al based alloys, Mg alloys, Cu based alloys, Ti and Ti-Al alloys, noble metal alloys such as Au, Pt, Ag, high entropy alloys, solder and brazing alloys, oxide and slag systems, molten salts, aqueous systems for corrosion and other applications, cemented carbides, nuclear materials and many other more specific systems. For many of these systems mobility databases are available for kinetic simulations using the diffusion module DICTRA and precipitation module PRISMA.

 

Thermo-Calc Software AB
Råsundavägen 18
169 67 Solna
Sweden
T +46 8 545 959 30
info@thermocalc.com
www.thermocalc.com