Modules

Element module

It has long been recognized that the combination of analysis and synthesis of thermodynamic properties is an important source of information on the phase stability of transition metals and alloys. There is an extensive set of experimental thermochemical data available. Thermodynamic data for the condensed phases of pure elements currently used by IET (Institute of Engineering Thermophysics) are the most reliable. IET engages in the compilation of a comprehensive, self consistent and authoritative thermo-chemical data for inorganic and metallurgical systems. The main purpose of the database lies in its use in calculation of phase equilibria in multicomponent systems which puts a premium on the interconsistency of the data and thereby on their traceability to the data for the elements.

Element module contains thermophysical properties (Gibbs energy, enthalpy, entropy, specific heat capacity, thermal conductivity and density from the liquid state down to room temperature) for the following elements: Ag, Al, Am, As, Au, B, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Cs, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, Hf, Hg, Ho, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, Na, Nb, Nd, Ni, Np, Os, P, Pa, Pb, Pd, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Y, Yb, Zn, Zr.




Binary-alloy module

In the binary-alloy module, interfacial material balance equations and Fick’s diffusion laws were combined with a thermodynamic solution model, which links the temperature, the interfacial composition and the phase stabilities to each other. The thermophysical properties of the solution phases are described with a substitutional solution model. Generally, the results depend not only on the alloy composition but also on the cooling rate. The module globally deals with non-equilibrium solidification, i.e., thermodynamic equilibrium is assumed to be achieved at the phase interfaces only. Binary-alloy module embraces thermophysical properties (Gibbs energy, enthalpy, entropy, specific heat capacity, thermal conductivity and density from the liquid state down to room temperature) for the following components: AlAg, AlCu, AlMg, AlSi, AlZn, CuAg, CuCr, CuFe, CuMg, CuMn, CuNi, CuSi, CuSn, CuTe, CuTi, CuZn, CuZr and FeSn. Depending on the alloy composition and cooling rate, the module also determines the phase fractions and compositions of the liquid during solidification.

In other words, the calculation algorithms are based on thermodynamic theory connected to thermodynamic assessment data, as well as on regression formulas of experimental data, and they take into account the temperature, the cooling rate and the alloy composition.




Aluminium-alloy module

In this thermodynamic-kinetic module, the main instruments of the convectional solute redistribution models, i.e., the material balance equations and Fick’s laws of solute diffusion, were incorporated into the proper set of thermodynamic chemical-potential-equality equations, which relate the phase interface compositions to both the temperature and the phase stabilities. Depending on the alloy composition and cooling rate, the module determines the phase fractions and compositions of the liquid during solidification; and also calculates important thermophysical material data (Gibbs energy, enthalpy, entropy, specific heat capacity, thermal conductivity and density from the liquid state down to room temperature) for aluminium alloys containing Ag, Cr, Cu, Fe, Mg, Mn, Nd, Si, Sn, Ti and Zn.

The module makes use of experimental thermodynamic and phase diagram data as well as solute diffusion data from IET and National Academy of Sciences, which are fed in as measured values.




Copper-alloy module

In this thermodynamic-kinetic module, the main instruments of the convectional solute redistribution models, i.e., the material balance equations and Fick’s laws of solute diffusion, were incorporated into the proper set of thermodynamic chemical-potential-equality equations, which relate the phase interface compositions to both the temperature and the phase stabilities. Depending on the alloy composition and cooling rate, the module determines the phase fractions and compositions of the liquid during solidification; and also calculates important thermophysical material data (Gibbs energy, enthalpy, entropy, specific heat capacity, thermal conductivity and density from the liquid state down to room temperature) for copper alloys containing Ag, Al, Cr, Fe, Mg, Mn, Ni, Pb, Si, Sn, Zn, and Zr.

The module makes use of experimental thermodynamic and phase diagram data as well as solute diffusion data from IET and National Academy of Sciences, which are fed in as measured values.




Ferrous-alloy module

In this thermodynamic-kinetic module, the main instruments of the convectional solute redistribution models, i.e., the material balance equations and Fick’s laws of solute diffusion, were incorporated into the proper set of thermodynamic chemical-potential-equality equations, which relate the phase interface compositions to both the temperature and the phase stabilities. Depending on the alloy composition and cooling rate, the module determines the phase fractions and compositions of the liquid during solidification; and also calculates important thermophysical material data (Gibbs energy, enthalpy, entropy, specific heat capacity, thermal conductivity and density from the liquid state down to room temperature) for ferrous alloys containing C, Cr, Cu, Mn, Mo, Nb, Ni, Si, Ti and V.

The module makes use of experimental thermodynamic and phase diagram data as well as solute diffusion data from IET and National Academy of Sciences, which are fed in as measured values.




Heat-transfer module

Heat-transfer module is used to determine the heat transfer coefficient at the metal/mould interface from cooling curves of actual casting process. The experimentally determined relationships between temperature and time within the mould and the casting are used in conjunction with finite difference technique to determine the magnitude of heat-transfer characteristics. The method, based on inverse solution, is well conditioned in the sense that it generates bounded solutions and never generates thermal characteristics oscillating with increasing amplitude.

Heat transfer is the driving force in solidification and also has a significant effect on the quality of the cast product. Knowledge of heat transfer phenomena is therefore essential for the improvement of production speed and productivity of the casting process.

The module can also be used to determine the heat transfer coefficient at the interface between two conducting media in other technological processes.




Physicochemical (:element) module

The module comprises physicochemical properties (surface tension and dynamic viscosity) in the liquid state for all the metallic elements in the periodic table.

In this module, the calculation algorithms are based on thermodynamic theory connected to physico- chemical assessment data, as well as on regression formulas of experimental data.


Note: Right-clicking on the periodic table panel initiates popup menu to display list of the elements and their corresponding basic properties.



Physicochemical (:binary alloy) module

The module embraces physicochemical properties (surface tension and dynamic viscosity) in the liquid state for corresponding binary alloys of all the metallic elements in the periodic table.

The calculation algorithms are based on thermodynamic theory connected to physicochemical assessment data, as well as on regression formulas of experimental data.


Note: Right-clicking on the periodic table panel initiates popup menu to display list of the elements and their corresponding basic properties.