|About this Abstract
||Materials Science & Technology 2012
||Phase Stability, Diffusion, Kinetics and their Applications (PSDK-VII)
||An Improved CVM Entropy Functional for BCC Alloys
||Vikas Jindal, Shrikant Lele
|On-Site Speaker (Planned)
Possibility of modifying the multiplicity of the basic cluster in the entropy functional used in the cluster variation method (CVM) is explored so that truncation errors due to finite size of the basic cluster may be corrected. The numerical value of this multiplicity is found by requiring the modified CVM entropy functional (M-CVM) in the tetrahedron approximation for the body-cantered cubic structure to yield the exact critical temperatures for ordering and phase separation. We demonstrate that very accurate values of the order parameter, correlation functions and the Gibbs function can be obtained for ordered and disordered phases at arbitrary composition and temperature with M-CVM approach by comparing the results with those for Monte Carlo simulations.