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THE ANALYSIS OF THE GROWTH PROCESS OF SUPER LATTICES SIMULATED WITH MOLECULAR DYNAMICS AND THE IN-SITU MEASUREMENT OF INTERNAL STRESS OF THE SUPER LATTICES

分子动力学模拟超级晶格生长过程分析及超级晶格内应力原位测量

基本信息

批准号：
07650382
负责人：
ITOH Akiyoshi
金额：
$ 1.34万
依托单位：
Nihon University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
1995
资助国家：
日本
起止时间：
1995 至 1996
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-07650382/
关键词：
SUPER LATTICES STRESS MOLECULAR DYNAMICS SIMULATION FILM GROWTH

项目摘要

It is an important issue to clarify microstructures and film growth process of super lattices. The purposes of this research are as follows :1) Clarifying the process and the kinetics of film growth of super lattices by using an in-situ measurement of the internal stress during fabrication.2) Clarifying the process and the kinetics of film growth of super lattices by the morecular dynamics simulations.In 1995, the dependence of both the surface morphology and the reconstruction on incident atom energy is simulated with the molecular dynamics method by using the Morse potential as one of the pair wise potentials. The simulated results are well coincident with the experimental results for the films fabricated by sputtering.In 1996, for the purpose of clearing the difference in the simulated process between the cases by using the embedded atom potential (EAM potential) (many-body potential) and by using the Morse potential (pair wise potential), simulations have been performed for Ni/Pd super lattices. The results are as follows :1) The film growth process and the structure of the mixing of different atoms at the boundary for the case of using EAM potential is as same as the case of using the Morse potential.2) The amount of stress in Ni layr simulated by using EAM potential is different from the result obtained by using Morse potential. The stress in Ni layr simulated with EAM potential is in coincident with experimental data for the film fabricated by sputtering.3) It is observed in the results obtained by using EAM potential that the stress in the mixed layr is not uniform and is localized at around the defects of the lattice.

阐明超晶格的微观结构和成膜过程是一个重要的课题。本研究的目的如下：1)通过原位测量制造过程中的内应力，阐明了超晶格薄膜生长的过程和动力学。2)通过分子动力学模拟阐明了超晶格成膜的过程和动力学。1995年，用分子动力学方法模拟了表面形貌和重构对入射原子能量的依赖关系，将摩尔斯势作为对势之一。模拟结果与溅射制备薄膜的实验结果吻合较好。1996年，为了消除嵌入原子势（EAM势）（多体势）和莫尔斯势（对势）在模拟过程中的差异，对Ni/Pd超晶格进行了模拟。结果表明：1)使用EAM势的薄膜生长过程和不同原子在边界处混合的结构与使用Morse势的情况相同。2)用EAM电位模拟的Ni层应力大小与用Morse电位模拟的结果不同。用EAM电位模拟的Ni层应力与溅射制备薄膜的实验数据吻合较好。3)利用EAM势得到的结果表明，混合层中的应力不均匀，集中在晶格缺陷周围。