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Thermodynamic modeling of Laves phases in the Ta–V system: Reassessment using first-principles results

✍ Scribed by J. Pavlů; J. Vřešt’ál; X.-Q. Chen; P. Rogl


Book ID
116332289
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
376 KB
Volume
35
Category
Article
ISSN
0364-5916

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✍ K. Chvátalová; J. Vřešťál; J. Houserová; M. Šob 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 257 KB

Ab initio total energies of the alloy sigma phase in Cr-W and Fe-W systems were calculated by means of the linear muffin-tin orbital method in the atomic sphere approximation. Total energies of the pure constituents in the sigma phase and standard element reference (SER) states were evaluated using