Amorphization induced by pressure: results for zeolites and general implications

TL;DR

This study uses ab initio simulations to investigate pressure-induced amorphization in zeolites, confirming the formation of low-density amorphous phases and exploring the factors influencing the irreversibility of the transition.

Contribution

It provides new insights into the mechanisms of pressure-induced amorphization in zeolites, emphasizing the role of energetic factors over kinetic ones.

Findings

Confirmation of low-density amorphous phases preserving crystalline topology

Zeolite composition influences pressure-induced amorphization

Energetic factors determine irreversibility of amorphization

Abstract

We report an {\sl ab initio} study of pressure-induced amorphization (PIA) in zeolites, which are model systems for this phenomenon. We confirm the occurrence of low-density amorphous phases like the one reported by Greaves {\sl et al.} [Science {\bf 308}, 1299 (2005)], which preserves the crystalline topology and might constitute a new type of glass. The role of the zeolite composition regarding PIA is explained. Our results support the correctness of existing models for the basic PIA mechanim, but suggest that energetic, rather than kinetic, factors determine the irreversibility of the transition.