A Structural Model of Transition of Cubic α-Mn Into a Hexagonal Modification Based on Noncrystallographic Symmetry of Clusters

• Published in: Metal science and heat treatment Vol. 66; no. 1-2; pp. 101 - 106
• Main Authors: Talis, A. L., Kraposhin, V. S.
• Format: Journal Article
• Language: English
• Published: New York Springer US 01-05-2024; Springer Nature B.V
• Subjects: Characterization and Evaluation of Materials; Chemistry and Materials Science; Classical Mechanics; Engineering Thermodynamics; Heat and Mass Transfer; Materials Science; Mathematical Modeling and Simulation; Metallic Materials; Octahedrons; Structural models; Symmetry; Tetrahedra; spiral packing of tetrahedrons; close-packed metals; high-pressure phases; transformation of tetrahedrons into an octahedron
• ISSN: 0026-0673; 1573-8973
• DOI: 10.1007/s11041-024-01024-2

A structural model of the transformation of cubic α-Mn into high-pressure hexagonal close-packed ε -Mn phase is suggested. The model is based on the transformation of a triple of tetrahedrons into an octahedron, implemented through a shift of the diagonal of a nonplanar “rhombus” formed by the faces of neighboring tetrahedrons. Asystem of such transformations transfers a fragment of a tetrahedral α -Mn spiral into a fragment of a rod composed of octahedrons in hexagonal closest packing. The model takes into account the noncrystallographic symmetry of the considered fragments of the crystalline phases.