用分子动力学模拟在Ni(001)衬底上生长NiAl薄膜

IF 0.9 4区物理与天体物理 Q4 PHYSICS, APPLIED

European Physical Journal-applied Physics Pub Date : 2020-08-18 DOI:10.1051/epjap/2020200186

Hicham El Azrak, A. Hassani, K. Sbiaai, A. Hasnaoui

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引用次数: 2

摘要

本文采用基于嵌入原子法(EAM)电位的分子动力学模拟(MD)方法研究了NiAl在镍(001)衬底上的薄膜生长。考虑800k、900k和1000k入射能量为0.06 eV。经过沉积过程，我们得到了不同百分比的B2-NiAl结构薄膜;1000 K 32.6%， 900 K 30%， 800 K 25%。我们的研究促使我们分析晶体结构。在沉积膜的演化过程中，我们观察到不同取向的晶粒的形成，以及Ni和Al亚晶格和反晶格中空位的出现。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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NiAl thin film growth on Ni(001) substrate using molecular dynamics simulations

We have studied thin film growth of NiAl on Nickel (001) substrate using molecular dynamics simulations (MD) based on the Embedded Atom Method (EAM) potential. An incidence energy of 0.06 eV at 800 K, 900 K and 1000 K was considered. After the deposition process, we have obtained a B2-NiAl structure film with different percentages; 32.6% for the temperature 1000 K, 30% for 900 K and 25% for 800 K. Our investigation has prompt us to analyze the crystalline structure. During the evolution of deposited film, we observe the formation of grains with different orientation, as well as the appearance of vacancies in Ni and Al sublattices and antisites.

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来源期刊

European Physical Journal-applied Physics 物理-物理：应用

CiteScore

1.90

自引率

10.00%

发文量

审稿时长

1.9 months

期刊介绍： EPJ AP an international journal devoted to the promotion of the recent progresses in all fields of applied physics. The articles published in EPJ AP span the whole spectrum of applied physics research.