New insight into the plastic deformation mechanisms during the SiO₂ phase transition process.

ABSTRACT: The removal of lattice impurities is the key to the purification of high-purity quartz (HPQ), especially for the intracell lattice impurities. Generally, the intracell lattice impurities can be migrated to the quartz surface via roasting, then removed by acid leaching. In order to reveal the phase transition of quartz during the roasting process, the evolution of structure, bond length, volume, lattice parameter and lattice stress in original, Ti⁴⁺, Al³⁺/Li⁺ and 4H⁺ substituted SiO₂ phases were employed to investigate the mechanisms of plastic deformation based on density functional theory calculations. Results showed that the evolution of bond lengths and volumes were mainly dominated by phase transition, and the interstitial v

SUBMITTER: Wei Z 

PROVIDER: S-EPMC10875730 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature