期刊
CRYSTALS
卷 11, 期 4, 页码 -出版社
MDPI
DOI: 10.3390/cryst11040452
关键词
iridium; equation of state; high pressure; X-ray diffraction; laser heating; density-functional theory; melting; radial-distribution function
资金
- Spanish Ministry of Science, Innovation, and Universities [PID2019-106383GB-C41, RED2018-102612-T]
- Generalitat Valenciana [Prometeo/2018/123]
- Spanish MINECO via the Juan de la Cierva Formacion program [FJC2018-036185-I]
In this study, the high-pressure high-temperature equation of state of iridium was determined using a combination of in situ synchrotron X-ray diffraction experiments and density-functional theory calculations. The results provide a reliable primary pressure standard for static experiments and include a comparison with other metals, as well as the determination of the radial-distribution function of liquid iridium.
In the present study, the high-pressure high-temperature equation of the state of iridium has been determined through a combination of in situ synchrotron X-ray diffraction experiments using laser-heating diamond-anvil cells (up to 48 GPa and 3100 K) and density-functional theory calculations (up to 80 GPa and 3000 K). The melting temperature of iridium at 40 GPa was also determined experimentally as being 4260 (200) K. The results obtained with the two different methods are fully consistent and agree with previous thermal expansion studies performed at ambient pressure. The resulting thermal equation of state can be described using a third-order Birch-Murnaghan formalism with a Berman thermal-expansion model. The present equation of the state of iridium can be used as a reliable primary pressure standard for static experiments up to 80 GPa and 3100 K. A comparison with gold, copper, platinum, niobium, rhenium, tantalum, and osmium is also presented. On top of that, the radial-distribution function of liquid iridium has been determined from experiments and calculations.
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