Interface Energy Calculation of γ-γ′ in Ni-Al System Using the Cluster Variation Method
A calculation of the interface energy for the Ni-Al binary alloy, including the inter-phase boundary (IPB) energy and the anti-phase boundary (APB) energy, has been performed using the Cluster Variation Method (CVM) with the tetrahedron approximation within the temperature range of 600°C~1300°C. The calculated IPB energies range between 8 and 13 mJ/m2, while the APB energies range between 24 and 46 mJ/m2. Additionally, the dependence of the average composition and the order parameter on distance with the compositionally diffuse interfacial regions has been computed. The calculation also shows the width of the diffuse IPB increases with the temperature linearly.
Yafang Han et al.
J. C. Wang et al., "Interface Energy Calculation of γ-γ′ in Ni-Al System Using the Cluster Variation Method", Materials Science Forum, Vols. 546-549, pp. 1333-1338, 2007