Thermo Elastic Properties of Nano-TiO2 Under High Pressure Using Different Equations of State

Abstract

Abstract In this paper, different EOSs (Birch-Murnaghan, modified Lennard-Jones, Singh and Kao, Tait) are used to study the effect of high pressure on thermo-elastic properties of nano TiO2 (Nano titanium dioxide). The results of V/Vo variation calculations under high pressure, using all the four EOSs, showed excellent agreement with the experimental data. This gives a conclusion that the EOSs used in the calculations of bulk materials, (Birch-Murnaghan, modified Lennard-Jones, Tait), can be used to perform the calculation for nanomaterials. The results obtained using these equations showed a complete agreement between them, on the one hand, and with the experimental data, on the other hand, when calculating the change of V/VO under high pressure. While the results obtained by S-K EOS differed from the results of the rest of the EOSs when calculating the change of, isothermal bulk modulus and thermal expansion coefficient, for Nano TiO2 under high pressure. This deviation may be attributed to considering B’O a constant value (B’O = 4) across all the derivation of S-K EOS.