Work

Structural and Mechanical Properties of Dickite and Nacrite Minerals: A Computational Study

Year: 2024

Type: article

Abstract: The structural and mechanical properties of dickite and nacrite are important in numerous scientific and industrial applications, but currently lacking in experimental data. To address this issue, numerical methods have been employed to quantify these properties. First, the interaction potential parameters for dickite and nacrite were determined using a relaxed fitting approach. Then, the properties were calculated with energy minimization. The results revealed that the interaction potential parameters and properties exhibit polytypic-specific dependence. When compared to available experimental and simulation data at zero pressure, such as lattice parameters, elastic constants, bulk modulus, and shear modulus, the calculated results are in good agreement, confirming the reliability of the numerical methods. In addition, properties challenging to determine experimentally, such as transverse and longitudinal wave velocities, dielectric properties, and piezoelectric constants, were also investigated, offering valuable contributions to the understanding of these kaolin polytypes.

Source: Minerals

DOI: 10.3390/min15010042

Authors: Brahim Khalil Benazzouz, Minh Phi Nguyen, Hai Hoang, Nguyen Van Phuoc, Suresh Alapati, Kwang-Il Jeong

Institutions: Polytechnic School of Algiers, Duy Tan University, Ton Duc Thang University, Kyungsung University

Language: English

Topic: High-pressure geophysics and materials

Subfield: Geophysics

Field: Earth and Planetary Sciences

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $2,728

Funder: National Research Foundation of Korea