Calculation of the Cr-W equilibrium phase diagram using the CV method with the Tight Binding Hamiltonian
Conference
·
· TMS (The Metallurgical Society) Paper Selection; (USA)
OSTI ID:5443326
- Columbia Univ., New York, NY (USA)
The equilibrium phase diagram for the Cr-W system is calculated by evaluating the electronic internal energy with the Cluster-Bethe-Lattice Method using a Tight Binding Hamiltonian and by evaluating the configurational entropy with the Cluster Variation Method. It is found that the enthalpy of formation can be parameterized well by a mean-field term quadratic in concentration together with a term linear in the short-range-order parameter. Comparison with the experimental phase diagram is made and the effect of scaling the alloy hamiltonian matrix elements on the calculated phase diagram is discussed.
- OSTI ID:
- 5443326
- Report Number(s):
- CONF-840909--
- Journal Information:
- TMS (The Metallurgical Society) Paper Selection; (USA), Journal Name: TMS (The Metallurgical Society) Paper Selection; (USA) Vol. 56; ISSN TMPSA; ISSN 0197-1689
- Country of Publication:
- United States
- Language:
- English
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