Influence of size and pressure on the temperature dependencies of thermodynamic properties of platinum
Institute of Physics named after H.I. Amirkhanova – subdivision of Dagestan Federal Research Center of the Russian Academy of Sciences
Abstract: Based on the parameters of the pair interatomic interaction potential of the Mie-Lennard- Jones for Pt , and using the RP-model of the nanocrystal, the temperature, pressure and size dependencies of the following properties are studied: elastic modulus, thermal expansion coefficient, isobaric heat capacity, and surface energy. The calculation of the equation of state showed good agreement with experiment. The equation of state was calculated along five isotherms: T=300, 1300, 1500 , 1700 , 1900 K. For the first time, calculations of the temperature dependences of the above properties of Pt in the range from 0 to 1500 K along 0 and 50 GPa isobars were performed from a unified standpoint. Calculations of these dependencies were carried out for both macro- and cubic nanocrystals of 306 atoms. It is shown that with an isobaric-isothermal decrease in the nanocrystal size, the values of the elastic modulus and surface energy decrease, while the values of the thermal expansion coefficient and isobaric heat capacity increase over the investigated temperature range.
Keywords: platinum, nanocrystal, size dependencies, equation of state, surface energy
- Sergey P. Kramynin – Junior Researcher, Institute of Physics named after H.I. Amirkhanova – subdivision of Dagestan Federal Research Center of the Russian Academy of Sciences
Kramynin, S.P. Influence of size and pressure on the temperature dependencies of thermodynamic properties of platinum / S.P. Kramynin // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. – Tver: TSU, 2021. — I. 13. — P. 465-474. DOI: 10.26456/pcascnn/2021.13.465. (In Russian).
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