Generalization of first-principles thermodynamic model: Application to hexagonal close-packed ε-Fe3N
نویسندگان
چکیده
منابع مشابه
Generalized-stacking-fault energy and twin-boundary energy of hexagonal close-packed Au: A first-principles calculation
Although solid Au is usually most stable as a face-centered cubic (fcc) structure, pure hexagonal close-packed (hcp) Au has been successfully fabricated recently. However, the phase stability and mechanical property of this new material are unclear, which may restrict its further applications. Here we present the evidence that hcp → fcc phase transformation can proceed easily in Au by first-pri...
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ژورنال
عنوان ژورنال: Computational Materials Science
سال: 2016
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2016.01.022