Abstract <p>The structure and properties of huanzalaite MgWO<sub>4</sub> have been simulated by the method of empirical interatomic potentials. The structure and the elastic and thermodynamic properties of MgWO<sub>4</sub> have been evaluated. The results obtained are compared with the available experimental and ab initio calculation data.</p>

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Simulation of Huanzalaite MgWO4 by the Method of Interatomic Potentials

  • V. B. Dudnikova,
  • E. V. Zharikov,
  • N. N. Eremin

摘要

Abstract

The structure and properties of huanzalaite MgWO4 have been simulated by the method of empirical interatomic potentials. The structure and the elastic and thermodynamic properties of MgWO4 have been evaluated. The results obtained are compared with the available experimental and ab initio calculation data.