Research Centre of Materials Thermochemistry

Basic Information about the Center
The unique materials science Research Center of Materials Thermochemistry was opened at the National University of Science and Technology MISiS in 2013. The center is engaged in both fundamental experimental studies of thermochemical features of materials and researches using theoretically-derived thermodynamics methods.

Activity of the Center
The center is designed to examine physicochemical properties of inorganic materials and to develop new inorganic materials by combining computer modelling and experimental fundamental researches of thermodynamic features of inorganic materials.

The center is focused on:

• compiling thermodynamic databases that may be used for modelling industrial tasks;
• researching inorganic materials and their conduct during processing and operation;
• developing new inorganic materials;
• using the Calphad methods for research purposes;
  • interaction between materials;
  • extracting and re-cycling inorganic materials, and
  • controlling the quality of inorganic materials.

The primary areas of research of the center are as follows:

• theoretical studies of thermodynamic data to describe pure elements (the new Pure Elements Database project as part of cooperation with SGTE Scientific Group Thermodata Europe);
• building up a thermodynamic Ag-Cu-Ge-S-O database for developing new corrosion-resistant silver alloys;
• studying the formation of stable and metastable phases in crystallizing aluminum alloys (jointly with Brunel University UK);
• generating new thermodynamic steel databases:
  • experimental studies and compilation of the thermodynamic Fe-Mn-Al-C database for modelling martensite transformation and stacking-fault energy for developing high-manganese steels (jointly with RWTH Aachen, Linköping University);
  • thermodynamic Fe-Ni-Cr-C-P modelling as applicable to P segregation on the boundary of grains in steels;
  • compiling the thermodynamic LaCeSteel database to describe the impact of lanthanoid elements on phase transformations in producing steels;
  • experimental and thermodynamic research of the impact of impurity substances of non-ferrous metals on the welding properties and susceptibility to formation of surface defects of coil stock (jointly with JSC OMK-Steel);
  • thermodynamic modelling of the optimal content of microalloying elements (Ti, V, Nb, B) in К56 and Х70М steels (jointly with PJSC Severstal), and studies of phase neutralities and transformations in slags, modelling thermophysical features of slags.