Thermodynamic and physical properties of Zr 3 Fe and ZrFe 2 intermetallic compounds
- verfasst von
- B. O. Mukhamedov, I. Saenko, A. V. Ponomareva, M. J. Kriegel, Aleksandr Chugreev, A. Udovsky, O. Fabrichnaya, I. A. Abrikosov
- Abstract
Experimental differential scanning calorimetry measurements and ab-initio simulations were carried out to define the heat capacities of Zr 3 Fe and C15-ZrFe 2 compounds from 0 K up to their maximum stability temperatures. Experimental measurements of heat capacity of each compound were performed for the first time in wide range of temperatures. Density functional theory and quasi-harmonic approximation (QHA) were employed to calculate the free energy of the studied systems as a function of volume and temperature. A good agreement was observed between theoretical and experimental heat capacities within validity range of the QHA. This makes it possible to combine theoretical and experimental data to determine the standard entropies of intermetallic compounds.
- Organisationseinheit(en)
-
Institut für Umformtechnik und Umformmaschinen
- Externe Organisation(en)
-
National University of Science and Technology MISIS
Technische Universität Bergakademie Freiberg
Russian Academy of Sciences (RAS)
National Research Nuclear University (MEPhI)
Linkoping University
- Typ
- Artikel
- Journal
- INTERMETALLICS
- Band
- 109
- Seiten
- 189-196
- Anzahl der Seiten
- 8
- ISSN
- 0966-9795
- Publikationsdatum
- 06.2019
- Publikationsstatus
- Veröffentlicht
- Peer-reviewed
- Ja
- ASJC Scopus Sachgebiete
- Allgemeine Chemie, Werkstoffmechanik, Maschinenbau, Metalle und Legierungen, Werkstoffchemie
- Elektronische Version(en)
-
http://liu.diva-portal.org/smash/record.jsf?pid=diva2%3A1328791&dswid=2694 (Zugang:
Offen)
https://doi.org/10.1016/j.intermet.2019.01.018 (Zugang: Geschlossen)
