• Shrikant Lele

      Articles written in Bulletin of Materials Science

    • Ordered structures in ternary hcp alloys

      Ashok Kumar Singh Shrikant Lele

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      A study of ordered structures in ternary hcp alloys has been undertaken. For this, the hcp structure has been divided into several sublattices and used to generate ordered structures with three types of atoms. Nine ground-state ordered structures have been identified on the basis of maximum or minimum number ofAB, BC andCA bonds. Complete crystallographic details about these structures have been worked out. In an alternate approach, ordered ternary structures were obtained by populating 8 types of sublattices (which generate Ti3Al structure) with three types of atoms. Thus, fortyeight ordered structures were found. For each structure, complete structural details have also been worked out, some of which are reported. Configurational energy of each structure has been calculated using pairwise interactions up to third neighbour distances. To gain insight regarding low-energy structures, some assumptions were utilized to reduce the number of independent parameters in the energy expressions and their consequences explored. Two types of degenerate situations have been observed. One type of degeneracy occurs for ideal hcp alloys where only first neighbour interactions are considered. Another degenerate situation occurs for non-ideal hcp alloys where interactions are considered up to third neighbour distances.

    • Transformations among CE–CVM model parameters for multicomponent systems

      B Nageswara Sarma Shrikant Lele

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      In the development of thermodynamic databases for multicomponent systems using the cluster expansion–cluster variation methods, we need to have a consistent procedure for expressing the model parameters (CECs) of a higher order system in terms of those of the lower order subsystems and to an independent set of parameters which exclusively represent interactions of the higher order systems. Such a procedure is presented in detail in this communication. Furthermore, the details of transformations required to express the model parameters in one basis from those defined in another basis for the same system are also presented.

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