Amorphous structure of grain boundaries and grain junctions in nanocrystalline silicon by molecular-dynamics simulation

被引：128

作者：

Keblinski, P ^{[1
]}

Phillpot, SR ^{[1
]}

Wolf, D ^{[1
]}

Gleiter, H ^{[1
]}

机构：

[1] FORSCHUNGSZENTRUM KARLSRUHE, D-76021 KARLSRUHE, GERMANY

来源：

ACTA MATERIALIA | 1997年 / 45卷 / 03期

关键词：

D O I：

10.1016/S1359-6454(96)00236-4

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Molecular-dynamics simulations using the Stillinger-Weber three-body potential are used to synthesize fully dense nanocrystalline silicon with a grain size up to 7.3 nm by crystallization from the melt. The structures of the highly-constrained grain boundaries, triple lines and point grain junctions are found to be highly disordered and similar to the structure of amorphous silicon. These results suggest that nanocrystalline silicon may be treated as a two-phase system, namely, an ordered crystalline phase in the grain interiors connected by an amorphous, intergranular glue-like phase. Copyright (C) 1997 Acta Metallurgica Inc.

引用

页码：987 / 998

页数：12

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