Publication Date:
2018-06-17
Description:
Publication date: September 2018 Source: Vacuum, Volume 155 Author(s): Yong Pan, Yuanpeng Wu Thermodynamic properties play a crucial role in high-temperature materials. Although WSi 2 is a promising high-temperature material, the thermodynamic properties of WSi 2 are unknown. We apply the first-principles to investigate the melting-point, Debye temperature and heat capacity of WSi 2 . The calculated melting-point of the hexagonal C40 structure, tetragonal C11 b structure and orthorhombic C54 structure is 2256 K, 2559 K and 1856K, respectively. The calculated Debye temperature of WSi 2 follows the order of C40 > C11 b > C54. The thermodynamic properties of WSi 2 derive from the vibration of the Si and Si-Si bond. However, the calculated heat capacity of C54 structure is larger than that of other structures.
Print ISSN:
0042-207X
Electronic ISSN:
1879-2715
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
,
Physics
