✦ LIBER ✦

Modeling of phase stability of the fcc phases in the Ni–Ir–Al system using the cluster/site approximation method coupling with first-principles calculations

✍ Scribed by C. Zhang; J. Zhu; A. Bengtson; D. Morgan; F. Zhang; W.-S. Cao; Y.A. Chang

Publisher: Elsevier Science
Year: 2008
Tongue: English
Weight: 240 KB
Volume: 56
Category: Article
ISSN: 1359-6454
DOI: 10.1016/j.actamat.2008.01.056

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Application of the cluster/site approxim

Application of the cluster/site approximation to fcc phases in the Ni–Al–Cr–Re system

✍ J. Zhu; W. Cao; Y. Yang; F. Zhang; S. Chen; W.A. Oates; Y.A. Chang 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 226 KB

The cluster/site approximation (CSA) has been used to model the face-centered cubic (fcc) phases (disordered c with the A1 structure and ordered c 0 with the L1 2 structure) in the Ni-Al-Cr-Re quaternary system. The CSA takes into account short-range order (SRO), which is vital for describing order/

Thermodynamic modeling of the Cr–Pt bina

Thermodynamic modeling of the Cr–Pt binary system using the cluster/site approximation coupling with first-principles energetics calculation

✍ C. Zhang; J. Zhu; A. Bengtson; D. Morgan; F. Zhang; Y. Yang; Y.A. Chang 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 247 KB

A thermodynamic description of Cr-Pt was developed in this study by combining first-principles calculation with the Calphad approach. The 0 K enthalpies of formation of Cr 3 Pt (A15), the ordered Cr x Pt 1Àx face-centered cubic (fcc) L1 2 compounds at x(Pt) = 0.25 and 0.75 and L1 0 compound at x(Pt)