Experimental Validation of Field Dynamic Number Equation: R′-Space Group Mapping and Symmetry Oscillation in the Mg-Si Binary System
The Field Dynamic Number Equation (FDNE) introduces a dimensionless parameter R′ = |E_above_hull| / (|E_formation| + ε), derived from convex hull thermodynamics, to quantify the phase transition readiness of crystalline polymorphs. This study presents the first systematic experimental validation of the FDNE theory through the Mg-Si binary system, leveraging the OQMD database (1,407,395 materials) cross-validated with the AFLOW database. Key findings: (1) R′ ≈ 16 maps to space group P6₃/mmc (#194), matching the experimental Mg₂Si high-pressure endpoint at ~21.3 GPa; (2) a non-monotonic symmetry oscillation pattern is discovered; (3) three target space groups (Cmcm #63, P4/mmm #123, Imma #74) are validated as exclusive high-pressure indicators. This is the English version of the paper, which also exists in Chinese (DOI: 10.5281/zenodo.21483316).
Authors
- Chao Qin (ORCID: https://orcid.org/0009-0006-2000-5644)
Institutions
- Minzu Normal University of Xingyi (CN)
Publication Details
- Journal
- Zenodo (CERN European Organization for Nuclear Research)
- Published
- 2026-07-22
- DOI
- https://doi.org/10.5281/zenodo.21483427
- Primary Topic
- High-pressure geophysics and materials
- Type
- article
- Field-Weighted Citation Impact
- 0.00