Amorphization induced by pressure:: Results for zeolites and general implications

被引：45

作者：

Peral, Inmaculada

Iniguez, Jorge

机构：

[1] CSIC, Inst Ciencia Mat Barcelona, E-08193 Barcelona, Spain

[2] Univ Autonoma Barcelona, Dept Fis, E-08193 Barcelona, Spain

[3] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA

来源：

PHYSICAL REVIEW LETTERS | 2006年 / 97卷 / 22期

关键词：

D O I：

10.1103/PhysRevLett.97.225502

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

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页数：4

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