科研之友
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摘要
Some alloys show interstitial-induced phase transitions and order-disorder transitions due to the mutual interactions between the interstitial (I) species and the substitutional (S) host lattice. An innovative approach, based on the cluster variation method (CVM), that takes this coupling into account is proposed here for the calculation of thermodynamic data and phase boundaries. In the case of fcc substitutional alloys with interstitial species a simple cube is chosen as the basic cluster. The cube is defined such that it explicitly accounts for the mutual interaction between the S and the I sublattices comprising the system. Expressions for the configurational entropy in the cube approximation and the internal energy are derived. Phase diagrams for several hypothetical binary host alloys with interstitials are calculated. The results obtained using the proposed simple-cube approximation demonstrate the effect of mutual interactions on the phase boundaries.
- 出版日期2006-7
