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一个自动驾驶实验室推动了材料性能的帕累托前沿。

A self-driving laboratory advances the Pareto front for material properties.

作者信息

MacLeod Benjamin P, Parlane Fraser G L, Rupnow Connor C, Dettelbach Kevan E, Elliott Michael S, Morrissey Thomas D, Haley Ted H, Proskurin Oleksii, Rooney Michael B, Taherimakhsousi Nina, Dvorak David J, Chiu Hsi N, Waizenegger Christopher E B, Ocean Karry, Mokhtari Mehrdad, Berlinguette Curtis P

机构信息

Department of Chemistry, The University of British Columbia, 2036 Main Mall, Vancouver, BC, V6T 1Z1, Canada.

Stewart Blusson Quantum Matter Institute, The University of British Columbia, 2355 East Mall, Vancouver, BC, V6T 1Z4, Canada.

出版信息

Nat Commun. 2022 Feb 22;13(1):995. doi: 10.1038/s41467-022-28580-6.

Abstract

Useful materials must satisfy multiple objectives, where the optimization of one objective is often at the expense of another. The Pareto front reports the optimal trade-offs between these conflicting objectives. Here we use a self-driving laboratory, Ada, to define the Pareto front of conductivities and processing temperatures for palladium films formed by combustion synthesis. Ada discovers new synthesis conditions that yield metallic films at lower processing temperatures (below 200 °C) relative to the prior art for this technique (250 °C). This temperature difference makes possible the coating of different commodity plastic materials (e.g., Nafion, polyethersulfone). These combustion synthesis conditions enable us to to spray coat uniform palladium films with moderate conductivity (1.1 × 10 S m) at 191 °C. Spray coating at 226 °C yields films with conductivities (2.0 × 10 S m) comparable to those of sputtered films (2.0 to 5.8 × 10 S m). This work shows how a self-driving laboratoy can discover materials that provide optimal trade-offs between conflicting objectives.

摘要

有用的材料必须满足多个目标,其中一个目标的优化往往是以牺牲另一个目标为代价的。帕累托前沿报告了这些相互冲突的目标之间的最佳权衡。在这里,我们使用一个自动驾驶实验室Ada来定义燃烧合成形成的钯膜的电导率和加工温度的帕累托前沿。相对于该技术的现有技术(250°C),Ada发现了新的合成条件,这些条件能在较低的加工温度(低于200°C)下产生金属膜。这种温度差异使得不同的商用塑料材料(如Nafion、聚醚砜)的涂层成为可能。这些燃烧合成条件使我们能够在191°C下喷涂具有适度电导率(1.1×10 S m)的均匀钯膜。在226°C下喷涂得到的膜的电导率(2.0×10 S m)与溅射膜(2.0至5.8×10 S m)相当。这项工作展示了自动驾驶实验室如何能够发现能在相互冲突的目标之间提供最佳权衡的材料。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/149c/8863835/c609edc254bd/41467_2022_28580_Fig1_HTML.jpg

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