𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Phase stabilities and spinodal decomposition in the Cr1−xAlxN system studied by ab initio LDA and thermodynamic modeling: Comparison with the Ti1−xAlxN and TiN/Si3N4 systems

✍ Scribed by R.F. Zhang; S. Veprek

Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
397 KB
Volume
55
Category
Article
ISSN
1359-6454

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Metastable phases and spinodal decomposi
Metastable phases and spinodal decomposition in Ti1−xAlxN system studied by ab initio and thermodynamic modeling, a comparison with the TiN–Si3N4 system
✍ R.F. Zhang; S. Veprek 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 423 KB

The total energies and lattice constants of binary hcp-and fcc-TiN, AlN and ternary Ti 0.5 Al 0.5 N phases are calculated by ab initio method using the Vienna ab initio simulation package (VASP). The values of total energies are then used to calculate the lattice stabilities of binary hcp-and fcc-Ti

Phase stabilities and thermal decomposit
Phase stabilities and thermal decomposition in the Zr1−xAlxN system studied by ab initio calculation and thermodynamic modeling
✍ S.H. Sheng; R.F. Zhang; S. Veprek 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 333 KB

The ab initio density functional theory is used to calculate the lattice constants, total energy and bulk modulus of binary hexagonal close packed (hcp) and face-centered cubic (fcc) ZrN, AlN and ternary Zr 1Àx Al x N phases. The calculated results are supported by previously reported experimental a