Simulation of Sanmartinite ZnWO4 by the Method of Interatomic Potentials

IF 0.6 4区材料科学 Q4 CRYSTALLOGRAPHY

Crystallography Reports Pub Date : 2025-05-05 DOI:10.1134/S1063774524602491

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

引用次数: 0

Abstract

The structure and properties of sanmartinite ZnWO₄ have been simulated by the method of empirical interatomic potentials. A system of coordinated interatomic potentials has been developed, which makes it possible to describe the structural, elastic, and thermodynamic properties of zinc tungstate and simulate more complex composite media containing this component.

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用原子间电位法模拟三马氏体ZnWO4

用经验原子间电位法模拟了三马氏体ZnWO4的结构和性能。一个协调的原子间势系统已经被开发出来，这使得描述钨酸锌的结构、弹性和热力学性质以及模拟含有该成分的更复杂的复合介质成为可能。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Crystallography Reports 化学-晶体学

CiteScore

1.10

自引率

28.60%

发文量

审稿时长

4-8 weeks

期刊介绍： Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.