First-principles study on dissolution corrosion behavior of alumina coating in liquid LiPb

IF 5.6 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
Wenyi Ding , Weiping Liu , Mingjie Zheng , Min Zhang
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引用次数: 0

Abstract

Liquid Lithium-Lead (LiPb) alloys can act as both neutron multiplier and tritium breeder in liquid blanket of fusion reactors, however, their corrosion on structure steel is still a challenge. Add a coating on the surface of structural component is an effective way to alleviate the liquid metal corrosion. In this work, by using the first principles molecular dynamic simulations, the dissolution, diffusion of alumina coating in liquid LiPb, the penetration of Li/Pb in alumina coating and the interface structure between alumina coating and liquid LiPb were investigated to evaluate the performance of the alumina coating in liquid LiPb. These data can provide indispensable information for understanding the performance of corrosion resistant coating in liquid LiPb.

Abstract Image

氧化铝涂层在LiPb液体中溶解腐蚀行为的第一性原理研究
液态锂铅合金在聚变反应堆液包层中既能充当中子倍增器,又能充当氚增殖器,但其对结构钢的腐蚀仍然是一个难题。在结构件表面添加涂层是缓解液态金属腐蚀的有效途径。本文采用第一性原理分子动力学模拟方法,研究了氧化铝涂层在LiPb液体中的溶解、扩散、Li/Pb在氧化铝涂层中的渗透以及氧化铝涂层与LiPb液体之间的界面结构,以评价氧化铝涂层在LiPb液体中的性能。这些数据可以为了解LiPb液体中耐腐蚀涂层的性能提供不可或缺的信息。
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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来源期刊
Scripta Materialia
Scripta Materialia 工程技术-材料科学:综合
CiteScore
11.40
自引率
5.00%
发文量
581
审稿时长
34 days
期刊介绍: Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.
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