Publication:
Thermodynamic and physical properties of Zr 3 Fe and ZrFe 2 intermetallic compounds

Файлы
W2926430395.pdf(1.39 MB)
Дата
2019
Авторы
Mukhamedov, B. O.
Saenko, I.
Ponomareva, A. V.
Kriegel, M. J.
Udovsky, A.
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Организационные подразделения
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Аннотация
© 2019 Elsevier Ltd 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.
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Thermodynamic and physical properties of Zr 3 Fe and ZrFe 2 intermetallic compounds / Mukhamedov, B.O. [et al.] // Intermetallics. - 2019. - 109. - P. 189-196. - 10.1016/j.intermet.2019.01.018
URI
https://www.doi.org/10.1016/j.intermet.2019.01.018
 https://www.scopus.com/record/display.uri?eid=2-s2.0-85063732149&origin=resultslist
 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000466821500025
 https://openrepository.mephi.ru/handle/123456789/16822
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