A High-Throughput Structural and Electrochemical Study of Metallic Glass Formation in Ni–Ti–Al

IF 3.784 3区 化学 Q1 Chemistry ACS Combinatorial Science Pub Date : 2020-06-04 DOI:10.1021/acscombsci.9b00215
Howie Joress*, Brian L. DeCost, Suchismita Sarker, Trevor M. Braun, Sidra Jilani, Ryan Smith, Logan Ward, Kevin J. Laws, Apurva Mehta, Jason R. Hattrick-Simpers
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引用次数: 29

Abstract

On the basis of a set of machine learning predictions of glass formation in the Ni–Ti–Al system, we have undertaken a high-throughput experimental study of that system. We utilized rapid synthesis followed by high-throughput structural and electrochemical characterization. Using this dual-modality approach, we are able to better classify the amorphous portion of the library, which we found to be the portion with a full width at half maximum (fwhm) of >0.42 ?–1 for the first sharp X-ray diffraction peak. Proper phase labeling is important for future machine learning efforts. We demonstrate that the fwhm and corrosion resistance are correlated but that, while chemistry still plays a role in corrosion resistance, a large fwhm, attributed to a glassy phase, is necessary for the highest corrosion resistance.

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Ni-Ti-Al金属玻璃形成的高通量结构和电化学研究
基于Ni-Ti-Al系统中玻璃形成的一组机器学习预测,我们对该系统进行了高通量实验研究。我们利用快速合成,然后进行高通量结构和电化学表征。使用这种双模态方法,我们能够更好地对文库的非晶部分进行分类,我们发现在第一个尖锐的x射线衍射峰的半最大值(fwhm)全宽度为>0.42 ? -1的部分。正确的阶段标记对未来的机器学习工作很重要。我们证明了fwhm和耐腐蚀性是相关的,但是,虽然化学仍然在耐腐蚀性中起作用,但由于玻璃相,较大的fwhm对于最高的耐腐蚀性是必要的。
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ACS Combinatorial Science
ACS Combinatorial Science CHEMISTRY, APPLIED-CHEMISTRY, MEDICINAL
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审稿时长
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期刊介绍: The Journal of Combinatorial Chemistry has been relaunched as ACS Combinatorial Science under the leadership of new Editor-in-Chief M.G. Finn of The Scripps Research Institute. The journal features an expanded scope and will build upon the legacy of the Journal of Combinatorial Chemistry, a highly cited leader in the field.
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