We provide comprehensive expertise in material design, offering the following specialized services:
- Phase Equilibria Analysis: Detailed exploration of phase equilibria and their evolution in multicomponent systems as functions of temperature, composition, and constraints (e.g., oxygen partial pressure (PO2), compositional range, phase activity).
- Thermodynamic Properties Assessment: In-depth characterization of thermodynamic properties such as heat capacity, vapor pressure, enthalpies, and driving forces, with respect to temperature and phase composition.
- Solidification Process Simulations: Advanced simulations of Scheil-Gulliver cooling and equilibrium solidification processes to predict and optimize material structures.
- Alloy Composition Optimization: Tailored optimization of alloy compositions to achieve specific property targets, maximizing or minimizing selected properties under given compositional and performance constraints, for enhanced material properties or the development of new materials.
- Performance Optimization: Strategic optimization of material performance, balancing properties, cost, and composition constraints.
- Phase Stability Mapping: Comprehensive mapping of phase stability regions as functions of composition, temperature, and processing conditions.
- Thermal Transport Property Calculation: Precise calculation of thermal transport properties, including thermal diffusivity and thermal conductivity, for both solid and liquid state materials, taking into account local chemical ordering and macrostructural parameters.
- Physical Property Determination: Accurate determination of physical properties such as viscosity, density, transport numbers, and surface tension for multicomponent systems.
Our expertise spans a diverse range of materials, including slags, oxides, steels, lightweight materials (Al-based, Mg-based, Zn-based), carbon-based materials, carbides, nitrides, borides, molten salts (Chlorides, Fluorides, Bromides, Iodides, carbonates, nitrites, sulphites), and more.