Author:
Zhang Qiuyuan,Tian Ye,Liu Shanqi,Yang Peipei,Li Yongbing
Abstract
Nickel sulfide minerals, an important type of metal sulfides, are the major component of mantle sulfides. They are also one of the important windows for mantle partial melting, mantle metasomatism, and mantle fluid mineralization. The elasticity plays an important role in understanding the deformation and elastic wave propagation of minerals, and it is the key parameter for interpreting seismic wave velocity in terms of the composition of the Earth’s interior. Based on first-principles methods, the crystal structure, equation of state, elastic constants, elastic modulus, mechanical stability, elastic anisotropy, and elastic wave velocity of millerite (NiS), heazlewoodite (Ni3S2), and polydymite (Ni3S4) under high pressure are investigated. Our calculated results show that the crystal structures of these Ni sulfides are well predicted. These Ni sulfides are mechanically stable under the high pressure of the upper mantle. The elastic constants show different changing trends with increasing pressure. The bulk modulus of these Ni sulfides increases linearly with pressure, whereas shear modulus is less sensitive to pressure. The universal elastic anisotropic index AU also shows different changing trends with pressure. Furthermore, the elastic wave velocities of Ni sulfides are much lower than those of olivine and enstatite.
Funder
National Natural Science Foundation of China
Subject
Geology,Geotechnical Engineering and Engineering Geology
Reference43 articles.
1. Global trends and environmental issues in nickel mining: Sulfides versus laterites
2. Optical phonons in millerite (NiS) from single-crystal polarized Raman spectroscopy
3. Godlevskite Ni9S8 from Dobromirtsi, Central Rhodopes, Bulgaria: Fifirst report for the country and genetic implications;Kerestedjian;Geochem. Min. Pet. Sofifia.,2007
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