High-precision equation of state data for TiO2 : A structural analog of SiO2
| Autor: | Philippe F. Weck, C. A. McCoy, Heath L. Hanshaw, Seth Root, Patricia Kalita, Sakun Duwal, Tommy Ao, Kyle Robert Cochrane |
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| Rok vydání: | 2020 |
| Předmět: | |
| Zdroj: | Physical Review B. 102 |
| ISSN: | 2469-9969 2469-9950 |
| DOI: | 10.1103/physrevb.102.024105 |
| Popis: | The high-pressure response of titanium dioxide (${\mathrm{TiO}}_{2}$) is of interest because of its numerous industrial applications and its structural similarities to silica (${\mathrm{SiO}}_{2}$). We used three platforms---Sandia's Z machine, Omega Laser Facility, and density-functional theory-based quantum molecular dynamics (QMD) simulations---to study the equation of state (EOS) of ${\mathrm{TiO}}_{2}$ at extreme conditions. We used magnetically accelerated flyer plates at Sandia to measure Hugoniot of ${\mathrm{TiO}}_{2}$ up to pressures of 855 GPa. We used a laser-driven shock wave at Omega to measure the shock temperature in ${\mathrm{TiO}}_{2}$. Our Z data show that rutile ${\mathrm{TiO}}_{2}$ reaches 2.2-fold compression at a pressure of 855 GPa and Omega data show that ${\mathrm{TiO}}_{2}$ is a reflecting liquid above 230 GPa. The QMD simulations are in excellent agreement with the experimental Hugoniot in both pressure and temperature. A melt curve for ${\mathrm{TiO}}_{2}$ is also proposed based on the QMD simulations. The combined experimental results show ${\mathrm{TiO}}_{2}$ is in a liquid at these explored pressure ranges and is not highly incompressible as suggested by a previous study. |
| Databáze: | OpenAIRE |
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