SIMULATION OF HUANZALAITE MgWO4 BY THE METHOD OF INTERATOMIC POTENTIALS

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Abstract

The structure and properties of huanzalaite MgWO4 has been investigated by computer simulation study based on the method of empirical interatomic potentials. The results of simulation of structural, elastic and thermodynamic properties of MgWO4 and their comparison with available experimental data and ab initio calculations are presented.

About the authors

V. B Dudnikova

Lomonosov Moscow State University

Email: VDudnikova@hotmail.com
Moscow, Russia

E. V Zharikov

Prokhorov General Physics Institute of the Russian Academy of Sciences

Moscow, Russia

N. N Eremin

Lomonosov Moscow State University; Institute of Geology of Ore Deposits, Petrography, Mineralogy and Geochemistry (IGEM RAS)

Moscow, Russia; Moscow, Russia

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