Amorphization induced by pressure : results for zeolites and general implications

Abstract

We report an ab initio study of pressure-induced amorphization (PIA) in zeolites, which are model systems for this phenomenon. We confirm the occurrence of recently reported low-density amorphous phases that preserve the crystalline topology, and explain the role of the zeolite composition regarding PIA. Our results support the correctness of existing models for the basic PIA mechanism, but suggest that energetic, rather than kinetic, factors determine the irreversibility of the transition.