Estimates of interfacial energies between ceramics (MX) and liquid metals (A) have been arrived at by employing an improved version of the Becker's model for interfacial energy calculations at liquid metal-liquid metal interfaces to calculate the total energy of interatomic bonds across an interface. The results of such an approximation yield values that are very close to the experimental values; for instance, the estimated value for Al2O3/lFe is 2 J · m-2, which compares well with the experimental data ranging from 1.9 to 2.3 J · m-2. It is suggested that interfacial energies depend on two terms: (1) the formation energy of MX and (2) the pairwise interaction energies between M and A atoms and X atoms and vacant interstitial sites. It is also found that the calculated interfacial energies in eutectic systems (carbides-metal, etc.) are generally low, while those in the monotectic systems (oxides-metal, etc.) are generally high.
ASJC Scopus subject areas
- Materials Science(all)
- Physical and Theoretical Chemistry
- Metals and Alloys