Force Fields for Molecular Dynamics Simulation of the Deposition of a Silicon Dioxide Film

被引：7
|
作者：
Grigoriev, F. V. [1 ,2 ]
机构：
[1] Moscow MV Lomonosov State Univ, Res Comp Ctr, Moscow 119991, Russia
[2] Natl Res Nucl Univ MEPhI, Moscow Engn Phys Inst, Moscow 115409, Russia
来源：
MOSCOW UNIVERSITY PHYSICS BULLETIN | 2015年 / 70卷 / 06期
基金：
俄罗斯科学基金会;
关键词：
high-performance simulation; molecular dynamics; thin film growth; deposition process; silicon dioxide force fields; GROWTH;
D O I：
10.3103/S0027134915060107
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
In this work we compare two force fields that are intended for the molecular dynamics simulation of the process of the deposition of silicon dioxide thin films. Analysis of the structural characteristics (the density and radial distribution function) of a glassy silicon dioxide cluster that was used as a substrate and a deposited film is carried out. It is shown that the DESIL force field in which the Van der Waals interaction is described by the Lennard-Jones potential turns out to be more suitable for modeling the process of deposition.
引用
收藏
页码：521 / 526
页数：6
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