Materials analysis applying thermodynamic (MAAT) software: A friendly and free tool to analyze the formation of solid solutions, amorphous phases and intermetallic compounds

A mechanistic view of defect engineered VFeSb half-Heusler alloys

“…asymmetric Hillert's model 74,75 for ternary alloys was employed. 65–67 At a given temperature ( T ), the Gibbs free energy of mixing for a random solid solution was determined from the entropy of mixing (Δ S m ) and enthalpy of mixing (Δ H m ) as follows:Δ G m = Δ H m − T Δ S m …”

“…The Δ H m VFeSb values were evaluated from the mole fractions of x V , x Fe , and x Sb of elements V, Fe, and Sb, respectively, and the enthalpy of mixing Δ H m VFe , Δ H m VSb and Δ H m FeSb of binaries V–Fe, Fe–Sb, and V–Sb, respectively. Δ H m VFeSb is calculated as follows: 67,74,75 where and .…”

“…While for compositions with unavailable experimental information, theoretical models such as Miedema's method [58][59][60] could be alternatively used to perform thermodynamic calculations. [61][62][63][64][65][66][67] For developing the thermodynamic consideration necessary to design the alloys, understanding the chemical activity of elemental constituents will be useful for better correlation of their chemical behavior to attain favorable microstructure.…”

An ab initio study on phase stability, elastic and mechanical properties of Zr-doped TiAl2 and α-TiAl3 intermetallics

“…All the first-principles computations are performed by CASTEP under zero pressure and zero temperature. To understand thermodynamic properties such as formation enthalpy, Gibbs free energy and entropy properties at 298 K, materials analysis applying thermodynamic (MAAT) software [37] based on de Boer [38] and Bakker [39] Results and discussion. -Phase stabilities of Zrdoped TiAl 2 and α-TiAl 3 intermetallics are expressed in terms of formation enthalpy, Gibbs free energy and entropy.…”

Design of In Situ Metal Matrix Composites Produced by Powder Metallurgy—A Critical Review

“…Mechanical alloying is a processing technique that uses high-energy ball milling to produce equilibrium and non-equilibrium solid solutions through deformation energy promoted by the impact of balls and powder. That is especially interesting when dealing with A(B) + C → A + BC reactions, for reinforcement yield could be increased by dissolving a higher amount of B in the matrix before reaction with C. The energy of milling required to form a solid solution can also be evaluated in open-source software [61], which uses Miedma's model to calculate an alloy's entropy of mixing [62][63][64].…”