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Polymorphism in glassy silicon: inherited from liquid-liquid phase transition in supercooled liquid.


ABSTRACT: Combining molecular dynamics (MD) simulation and Voronoi polyhedral analyses, we discussed the microstructure evolution in liquid and glassy silicon during cooling by focusing on the fraction of various clusters. Liquid-liquid phase transition (LLPT) is detected in supercooled liquid silicon However, freezing the high-density liquid (HDL) to the glassy state is not achieved as the quenching rate goes up to 10(14) K/s. The polyamorphism in glassy silicon is found to be mainly associated with low-density liquid (LDL).

SUBMITTER: Zhang S 

PROVIDER: S-EPMC4341220 | biostudies-other | 2015

REPOSITORIES: biostudies-other

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