The Nb-Si (Niobium-Silicon) system

The thermodynamics of the Ni-Al-B system are assessed based on available literature data. Both the Ni-B and Al-B systems were revised to treat B as an interstitial element in a face-centered cubic structure, rather than as a substitutional element. In addition, the Al-B binary description was modified to account for the recent experimental work on the melting properties of AlB12. Two Ni-Al assessments are considered for the ternary assessment. For the same optimized ternary parameters, the two Ni-Al assessments produced similar results, with the differences increasing at high temperatures near the liquidus.

A thermodynamic assessment of the Ni-Al-B system

Experimental study and thermodynamic re-modelling of the constituent binaries and ternary B–Fe–Ti system

Mechanically activated SHS of Nb5Si3 and Nb5Si3/Nb composites

Nowadays first-principles calculations have achieved considerable reliability for the prediction of the properties of materials. These calculations are based on the density functional theory. In the present work, we have obtained a large number of enthalpies of formation of binary intermetallic compounds of transition metals with the elements Al, Ga, Si, Ge or Sn. The ab-initio values have been calculated with VASP in the generalized gradient approximation. We have compared the calculated enthalpies of formation of compounds to the values obtained with calorimetric methods. An excellent agreement is observed in the cases of aluminum and silicon based compounds. We also observe that in the case of highly negative values of enthalpies of formation of early transition metal alloys the experimental values are often more negative than the calculated values but it is not the case in Pt based compounds. In the cases of the Pt, Mo, Ru, Rh compounds with Al, Ga, Si, Ge or Sn, a very nice agreement between calculated and experimental values is observed.

A.S. Dubrovin

Papers

Measurement of the heat of formation of intermetallic compounds by the sintering method in an isothermal calorimeter.