Ontology highlight
ABSTRACT:
SUBMITTER: Niu H
PROVIDER: S-EPMC6003482 | biostudies-literature | 2018 May
REPOSITORIES: biostudies-literature
Niu Haiyang H Piaggi Pablo M PM Invernizzi Michele M Parrinello Michele M
Proceedings of the National Academy of Sciences of the United States of America 20180507 21
Silica is one of the most abundant minerals on Earth and is widely used in many fields. Investigating the crystallization of liquid silica by atomic simulations is of great importance to understand the crystallization mechanism; however, the high crystallization barrier and the tendency of silica to form glasses make such simulations very challenging. Here we have studied liquid silica crystallization to β-cristobalite with metadynamics, using X-ray diffraction (XRD) peak intensities as collecti ...[more]