A high-throughput approach to explore the multi-component alloy space: A case study of nickel-based superalloys

Wang, Zi; Zhang, Lina; Li, Weifu; Qin, Zijun; Wang, Zexin; Li, Zihang; Tan, Liming; Zhu, Lilong; Liu, Feng; Han, Hua; Jiang, Liang

doi:10.1016/j.jallcom.2020.158100

Cited by 14 publications

(9 citation statements)

References 36 publications

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“…Then this configuration is heated to an elevated temperature that enables atomic diffusion across the interfaces between the different metals. This process leads to a compositional gradient near the interface that serves as a compositional library [30][31][32][33][34] . Despite the large compositional space that diffusion multiples and magnetron sputtering can achieve, these approaches encounter some difficult issues.…”

Section: Introductionmentioning

confidence: 99%

A review on high-throughput development of high-entropy alloys by combinatorial methods

Mooraj¹,

Chen²

2023

J Mater Inf

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High-entropy alloys (HEAs) are an emerging class of alloys with multi-principal elements that greatly expands the compositional space for advanced alloy design. Besides chemistry, processing history can also affect the phase and microstructure formation in HEAs. The number of possible alloy compositions and processing paths gives rise to enormous material design space, which makes it challenging to explore by traditional trial-and-error approaches. This review highlights the progress in combinatorial high-throughput studies towards rapid prediction, manufacturing, and characterization of promising HEA compositions. This review begins with an introduction to HEAs and their unique properties. Then, this review describes high-throughput computational methods such as machine learning that can predict desired alloy compositions from hundreds or even thousands of candidates. The next section of this review presents advances in combinatorial synthesis of material libraries by additive manufacturing for efficient development of high-performance HEAs at bulk scale. The final section of this review discusses the high-throughput characterization techniques that are used to accelerate the material property measurements for systematic understanding of the composition-processing-structure-property relationships in combinatorial HEA libraries.

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Section: Introductionmentioning

confidence: 99%

A review on high-throughput development of high-entropy alloys by combinatorial methods

Mooraj¹,

Chen²

2023

J Mater Inf

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“…Evidently, high-entropy alloys (HEA) have never been used for this reaction, which is an emerging class of catalysts. − These multicomponent alloys with a simple crystal structure (FCC, BCC, or HCP) can be effectively utilized for numerous catalytic applications, as their composition and constituents can be tuned for specific applications. As mentioned earlier, hydrazine oxidation is often coupled to the oxygen evolution reaction. , Thus, it is vital to know the contribution of each reaction to the overall oxidation process.…”

Section: Introductionmentioning

confidence: 99%

Electrooxidation of Hydrazine Utilizing High-Entropy Alloys: Assisting the Oxygen Evolution Reaction at the Thermodynamic Voltage

et al. 2021

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Hydrazine electrooxidation is an important reaction as it assists in decreasing the OER overvoltage. Herein, we report the utilization of a high-entropy nanocatalyst alloy for the electrooxidation of hydrazine. The high-entropy nanocatalyst comprising five elements (Ag, Au, Pt, Pd, Cu) shows profound activity toward this molecule at a low overvoltage. An intriguingly high-entropy nanocatalyst prepared by the casting-cum-cryomilling method is endowed with the unique catalytic activity for the HzOR. A detailed analysis of gaseous product points to the formation of nitrogen as well as oxygen as the oxidation product, a sign of accompanying the oxygen evolution reaction (OER). Interestingly, a significant amount of oxygen is detected at 1.13 V (reversible hydrogen electrode (RHE)) in a neutral buffered medium, confirming that the OER is functional at a voltage near the thermodynamic voltage of 1.23 V (RHE). The quantitative contribution of each hydrazine and OER is ascertained, which explains a vital insight into this reaction. Density functional theory calculations showed that both HzOR and OER assist each other where the electron-donating effect of H2O to the surface can reduce the endothermicity of the HzOR. However, the electron acceptance of *NHNH2 helps in a favorable overlap of the HEA Fermi level and vacant states with the HOMO of H2O.

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“…For experimental HT screening, new processing routes such as rapid alloy prototyping (Springer and Raabe, 2012), laser engineered net shaping (LENS) (Chaudhary et al, 2021), additive manufacturing (Vecchio et al, 2021) or preparing diffusion multiples (Wang et al, 2021), offer a good level of flexibility for producing chemical gradients (a number of alloy compositions) in a single sample to be characterised. Micro/ nano-indentation on the diffusion multiples (Wang et al, 2021) or on micro-pillars could be a tool for evaluating the mechanical responses of the material (Miracle and Senkov, 2017). Nonetheless, these methods still do not provide the required speed and flexibility for various alloy development schemes.…”

Section: The Urgency For Developing Experimental Htmentioning

confidence: 99%

High-Throughput CALPHAD: A Powerful Tool Towards Accelerated Metallurgy

Ghassemali

Conway

2022

Front. Mater.

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Introduction of high entropy alloys or multi-principal element alloys around 15 years ago motivated revising conventional alloy design strategies and proposed new ways for alloy development. Despite significant research since then, the potential for new material discoveries using the MPEA concept has hardly been scratched. Given the number of available elements and the vastness of possible composition combinations, an unlimited number of alloys are waiting to be investigated! Discovering novel high-performance materials can be like finding a needle in a haystack, which demands an enormous amount of time and computational capacity. To overcome the challenge, a systematic approach is essential to meet the growing demand for developing novel high-performance or multifunctional materials. This article aims to briefly review the challenges, recent progress and gaps, and future outlook in accelerated alloy development, with a specific focus on computational high-throughput (HT) screening methods integrated with the Calculation of Phase Diagrams (CALPHAD) technique.

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A high-throughput approach to explore the multi-component alloy space: A case study of nickel-based superalloys

Cited by 14 publications

References 36 publications

A review on high-throughput development of high-entropy alloys by combinatorial methods

A review on high-throughput development of high-entropy alloys by combinatorial methods

Electrooxidation of Hydrazine Utilizing High-Entropy Alloys: Assisting the Oxygen Evolution Reaction at the Thermodynamic Voltage

High-Throughput CALPHAD: A Powerful Tool Towards Accelerated Metallurgy

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