Thermodynamic assessment of the Molybdenum–Rhenium system

First-principles calculation aided thermodynamic modeling of the Mo–Re system

“…Below we discuss the treatment of disordered and ordered alloy phases. Comparison between the calculated Mo-Re phase diagram from this work and experimental data from (a) Dickinson et al [11], (b) Knapton et al [12], (c) Savitskii et al [13], (d) Farzadfar et al [19], and (e) those calculated from Mao et al [18] and Farzadfar et al [19].…”

“…One is by Mao et al [18] and the other by Farzadfar et al [19] The models and calculated results from their works will be discussed and compared with the current work in the section of Results and discussion. However, here we want to point out that Farzadfar et al [19] also carried out phase equilibrium study on 13 alloys at 1873 K, 1473 K or 1273 K for different periods of annealing time. In addition, enthalpies of formation of selected samples were measured by direct reaction calorimetry.…”

“…The s phase The crystallographic data and site occupancies of the s phase are listed in Table 2. As proposed by Kasper [22], the tetragonal unit cell [19,24]. The Gibbs energy for one mole of formula unit of this model, i.e., 30 moles of atoms, is given below [25]:…”

Irregular Homogeneity Domains in Ternary Intermetallic Systems

“…Figure 10). The symbols correspond to the experimental occupancies at 1000 °C (Cr-Re) [20] and 1200 °C (Mo-Re) [24].…”

Non-Stoichiometry and Calphad Modeling of Frank-Kasper Phases

“…This yields to the proposal of a new model simpler that the previously used one: (A,B) 2 (A,B). This recent model has been used to describe the systems Mo-Re [37] and Cr-Fe [59].…”