高通量(HTP)合成:更新的高通量快速实验合金开发(HT-READ)

IF 12.2 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Current Opinion in Solid State & Materials Science Pub Date : 2024-05-30 DOI:10.1016/j.cossms.2024.101164
Kenneth S. Vecchio
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引用次数: 0

摘要

过去二十年来,计算材料科学界在促进和支持新材料(尤其是金属合金)开发方面取得了巨大进步。虽然材料界现在已经拥有了具有影响力的计算工具,从用于计算相图的相图计算(CALPHAD)方法,到用于计算单个相的某些性质的密度泛函理论(DFT),再到用于加速计算发现的人工智能(AI)和机器学习(ML),但一直缺乏任何高通量方法的实验验证方法。由于电弧熔炼法等传统方法仍然是一次性方法,每个样品都需要单独的样品制备和表征过程,其中几乎没有任何过程是自动化的,因此金属合金合成仍然非常缓慢。为了克服这些限制,我们开发了高通量快速实验合金开发(HT-READ)平台。HT-READ 平台真正改变了金属合金开发领域的模式,实现了合金样品的全自动合成和表征,一次可合成 16 组样品。HT-READ 平台方法的特点是使用单个样品,最多 16 个单独的合金 "辐条 "组成一个 "车轮 "几何形状。这种几何形状直接实现了每个表征步骤的自动化,无需训练有素的工程师进行仪器操作。尽管 HT-READ 平台具有显著优势,但速率控制步骤仍然是对用于 3-D 打印 "车轮 "样品各个辐条的合金粉末进行物理称重。在最新升级的 HT-READ 平台中,粉末处理和称重过程已通过 ChemSpeed™ 配料器实现自动化,该配料器最多可分配 24 种不同的粉末,以满足每个 16 辐条样品所需的成分。有了更新的 HT-READ 平台,现在就可以实现真正的高通量金属合金开发,并通过 GDS、XRD、SEM-EDS、SEM-EBSD、显微硬度和纳米压痕等多种仪器进行自动表征。
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High-throughput (HTP) synthesis: Updated high-throughput rapid experimental alloy development (HT-READ)

Over the past 2 decades, the computational materials science community has made great advances in facilitating and supporting the development of new materials, particularly metallic alloys. While the materials community now has impactful computational tools, from Calculation of Phase Diagrams (CALPHAD) methods for computing phase diagrams, to density functional theory (DFT) for computing certain properties of individual phases, to Artificial Intelligence (AI) and Machine Learning (ML) to accelerate computational discoveries, experimental validation methods, in any high-throughput methodology, has been lacking. Metallic alloy synthesis has remained incredibly slow owing to traditional methods, such as arc-melting methods, remaining a one-off approach, which each individual sample requiring a separate sample preparation and characterization process, little if any of which is automated. To overcome these limitations, the High-Throughput Rapid Experimental Alloy Development (HT-READ) platform was developed. The HT-READ platform is a true paradigm change in the field of metallic alloy development, enabling fully automated synthesis and characterization of alloy samples in groups of 16 samples at once. The enabling feature of the HT-READ platform approach is the use of a single sample, with up to 16 individual alloy ‘spokes’ comprising a ‘wagon-wheel’ geometry. This geometry directly enables the automation of each of the characterization steps that can proceed without instrument operation by a trained engineer. In spite of the significant advantages of the HT-READ platform, the rate controlling step remains the physical weighing of the alloy powders used in the 3-D printing of the individual spokes of the ‘wagon-wheel’ sample. In the newly updated HT-READ platform, the powder handling and weighting process has now been automated using a ChemSpeed™ Doser, which can dispense up to 24 different powders, which might be needed to achieve the desired composition for each of the 16-spoke samples. With the Updated HT-READ platform, it is now possible to achieve truly high-throughput of metallic alloy development, with automated characterization across multiple instruments, from GDS, XRD, SEM-EDS, SEM-EBSD, microhardness, and nanoindentation.

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来源期刊
Current Opinion in Solid State & Materials Science
Current Opinion in Solid State & Materials Science 工程技术-材料科学:综合
CiteScore
21.10
自引率
3.60%
发文量
41
审稿时长
47 days
期刊介绍: Title: Current Opinion in Solid State & Materials Science Journal Overview: Aims to provide a snapshot of the latest research and advances in materials science Publishes six issues per year, each containing reviews covering exciting and developing areas of materials science Each issue comprises 2-3 sections of reviews commissioned by international researchers who are experts in their fields Provides materials scientists with the opportunity to stay informed about current developments in their own and related areas of research Promotes cross-fertilization of ideas across an increasingly interdisciplinary field
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