Optimization of large amorphous silicon and silica structures for molecular dynamics simulations of energetic impacts

被引：7

作者：

Samela, Juha ^{[1
,2
]}

Norris, Scott A. ^{[3
]}

Nordlund, Kai ^{[1
,2
]}

Aziz, Michael J. ^{[4
]}

机构：

[1] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland

[2] Univ Helsinki, Helsinki Inst Phys, FI-00014 Helsinki, Finland

[3] So Methodist Univ, Dallas, TX 75205 USA

[4] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA

来源：

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS | 2011年 / 269卷 / 14期

关键词：

Molecular-dynamics simulation; Silicon; Silica; Amorphous network; VITREOUS SILICA; SI; SYSTEMS; BOMBARDMENT; PHASES;

D O I：

10.1016/j.nimb.2010.11.017

中图分类号：

TH7 [仪器、仪表];

学科分类号：

0804 ; 080401 ; 081102 ;

摘要：

A practical method to create optimized amorphous silicon and silica structures for molecular dynamics simulations is developed and tested. The method is based on the Wooten, Winer, and Weaire algorithm and combination of small optimized blocks to larger structures. The method makes possible to perform simulations of either very large cluster hypervelocity impacts on amorphous targets or small displacements induced by low energy ion impacts in silicon. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：1568 / 1571

页数：4

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