Study on the Densification of Osmium by Experiment and First Principle Calculations

• Published in: Materials Vol. 15; no. 22; p. 8011
• Main Authors: Yang, Yunfei, Sun, Junhao, Liu, Wei, Hu, Peng, Zhang, Ruimin, Liu, Hexiong, Gao, Junyan, Wang, Jinshu
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 13.11.2022; MDPI
• Subjects: Activation energy; Alloys; Approximation; Coatings; Densification; Density; Energy; First principles; first-principle calculation; Grain growth; Heating rate; Investigations; master sintering curve; Mathematical analysis; Molybdenum; Osmium; Particle size; Pore size; Powder metallurgy; Raw materials; Sintering; Specific gravity; Temperature; osmium; master sintering curve; first-principle calculation; densification
• ISSN: 1996-1944; 1996-1944
• DOI: 10.3390/ma15228011

The sintering of osmium is critical for the preparation of raw material targets for film coating, which is the main application area of osmium. In order to get a better understanding of the intrinsic mechanism of densification of osmium, a serial study on the sintering behavior of osmium has been made in this study. By the master sintering curve (MSC) and constant heating rate (CHR) method, the sintering activation energy of nanosized osmium is evaluated to be about 340 kJ/mol, which is higher than most other metals. The density-functional theory calculation indicates the higher energy barrier of the surface atom and vacancy migration and lacking migration tunnel of inner point vacancies. For example, the diffusion of osmium atoms on the surface of particles is mainly limited by Os (1010), which has an energy barrier as high as 1.14 eV, that is higher than the W atom on W (110) of 0.99 eV. The vacancy migration energy barrier inside osmium's grains is higher than 3.0 eV, while that of W is only 1.7 eV. This means that it is more difficult for osmium to achieve a high density compared with W, which is consistent with the experimental results. Accordingly, the proposed strategy provides a new opportunity to design a sintering process for target fabrication with excellent properties for various applications.