高贵与流动:通过高通量实验和机器学习深入了解高熵合金的熔盐腐蚀机制

IF 17.3 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Matter Pub Date : 2024-06-05 DOI:10.1016/j.matt.2024.05.004
Bonita Goh , Yafei Wang , Phalgun Nelaturu , Hongliang Zhang , Michael Moorehead , Thien Duong , Pikee Priya , Dan Thoma , Santanu Chaudhuri , Jason Hattrick-Simpers , Kumar Sridharan , Adrien Couet
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引用次数: 0

摘要

合金在熔盐中的腐蚀通常可以从热力学角度理解:合金中惰性元素的含量越高,合金的耐腐蚀性就越强。在此,我们介绍了铬铁镍成分复杂空间中的一个实例,它打破了这一传统直觉。通过对大量数据集进行机器学习分析,我们发现该体系中的熔盐腐蚀主要是由合金中的镍迁移率预测的。这一发现是通过高通量制造和测试一组 110 种成分复杂的合金实现的,这些合金属于铬铁镍元素空间,由增材制造原位合金工艺制备,并在标准化的温度和氯电位条件下进行腐蚀测试。如此大规模的熔盐腐蚀标准化参数数据集尚属首次。通过该数据集,我们对用于清洁能源技术的铬铁镍腐蚀机理有了新的认识。
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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Nobility vs. mobility: Insights into molten salt corrosion mechanisms of high-entropy alloys via high-throughput experiments and machine learning

Corrosion of alloys in molten salts is commonly understood from thermodynamics: the higher the content of noble elements in the alloy, the more corrosion resistant the alloy is expected to be. Here, we present an example in the CrFeMnNi compositionally complex space that defies this conventional intuition. Machine learning-facilitated analysis of the extensive dataset reveals that molten salt corrosion in this system is primarily predicted by the Ni mobility within the alloy. This discovery was made possible using high-throughput manufacturing and testing of a set of 110 compositionally complex alloys within the CrFeMnNi element space prepared by additive manufacturing in situ alloying processes and corrosion tested in standardized conditions of temperature and chlorine potential. A standardized, parametric dataset of this magnitude for corrosion in molten salts is a first of its kind. This dataset results in new insights into the corrosion mechanism of CrFeMnNi for clean energy-enabling technologies.

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来源期刊
Matter
Matter MATERIALS SCIENCE, MULTIDISCIPLINARY-
CiteScore
26.30
自引率
2.60%
发文量
367
期刊介绍: Matter, a monthly journal affiliated with Cell, spans the broad field of materials science from nano to macro levels,covering fundamentals to applications. Embracing groundbreaking technologies,it includes full-length research articles,reviews, perspectives,previews, opinions, personnel stories, and general editorial content. Matter aims to be the primary resource for researchers in academia and industry, inspiring the next generation of materials scientists.
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