Accelerated design for magnetocaloric performance in Mn-Fe-P-Si compounds using machine learning

Tu, Defang; Yan, Jianqi; Xie, Yunbo; Li, Jun; Feng, Shuo; Xia, Mingxu; Li, Jianguo; Leung, Chu Lun Alex

doi:10.1016/j.jmst.2021.03.082

Cited by 23 publications

(6 citation statements)

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“…HT screening has been developed and is more mature for functional materials such as magnetoelectrics, batteries, and photovoltaics (Hautier et al, 2010;Potyrailo et al, 2011;Chaudhary et al, 2021;Tu et al, 2022). For structural materials, these techniques require more development (Gao and Alman, 2013), while the main challenge is that besides the composition and phase fractions, structural properties also depend on microstructural coarseness and distribution of various phases.…”

Section: High-throughput Screeningmentioning

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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Section: High-throughput Screeningmentioning

confidence: 99%

High-Throughput CALPHAD: A Powerful Tool Towards Accelerated Metallurgy

Ghassemali

Conway

2022

Front. Mater.

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“…MnFePSi alloys have emerged as a prominent and swiftly advancing category of magnetocaloric materials, drawing considerable attention in recent years due to their exceptional magnetic and structural properties [15][16][17][18]. This alloy stands out for its distinctive electronic structure, endowing it with remarkable attributes such as a high magnetocaloric effect (MCE) and substantial saturation magnetization [9,[18][19][20]. These features make it a compelling candidate for various applications, as they play a crucial role in enhancing the efficiency of magnetic refrigeration systems and solid-state cooling devices.…”

Section: Introductionmentioning

confidence: 99%

“…The (Mn,Fe) 2 (P,Si)-based materials, including MnFePSi, hold a particularly promising position among the magnetocaloric materials. This is primarily because they offer an ideal combination of characteristics for practical applications, including the utilization of low-cost starting materials and environmentally friendly properties [9,[18][19][20][21][22][23][24][25][26]. These materials hold the potential to revolutionize the field of refrigeration and cooling technologies, reducing the environmental impact of conventional cooling methods.…”

Section: Introductionmentioning

confidence: 99%

“…Furthermore, as we move towards an era of miniaturization and micro-scale technology, the development of MCE devices based on small-size MnFePSi particles, wires, ribbons, films, bi-and multilayers, and pillars becomes increasingly significant [15][16][17][18][19][20][21][22][23][24][25][26]. These compact and versatile forms of MnFePSi alloys open the door to a variety of technological applications, ranging from compact cooling devices in electronic components to portable cooling solutions for medical and industrial settings.…”

Section: Introductionmentioning

confidence: 99%

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Comparison of the Magnetic and Structural Properties of MnFePSi Microwires and MnFePSi Bulk Alloy

Salaheldeen,

Zhukova,

Rosero

et al. 2024

Materials

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We provide comparative studies of the structural, morphological, microstructural, and magnetic properties of MnFePSi-glass-coated microwires (MnFePSi-GCMWs) and bulk MnFePSi at different temperatures and magnetic fields. The structure of MnFePSi GCMWs prepared by the Taylor–Ulitovsky method consists of the main Fe2P phase and secondary impurities phases of Mn5Si3 and Fe3Si, as confirmed by XRD analysis. Additionally, a notable reduction in the average grain size from 24 µm for the bulk sample to 36 nm for the glass-coated microwire sample is observed. The analysis of magnetic properties of MnFePSi-glass-coated microwires shows different magnetic behavior as compared to the bulk MnFePSi. High coercivity (450 Oe) and remanence (0.32) are observed for MnFePSi-GCMWs compared to low coercivity and remanent magnetization observed for bulk MnFePSi alloy. In addition, large irreversibility at low temperatures is observed in the thermal dependence of magnetization of microwires. Meanwhile, the bulk sample shows regular ferromagnetic behavior, where the field cooling and field heating magnetic curves show a monotonic increase by decreasing the temperature. The notable separation between field cooling and field heating curves of MnFePSi-GCMWs is seen for the applied field at 1 kOe. Also, the M/M5K vs. T for MNFePSi-GCMWs shows a notable sensitivity at a low magnetic field compared to a very noisy magnetic signal for bulk alloy. The common features for both MnFePSi samples are high Curie temperatures above 400 K. From the experimental results, we can deduce the substantial effect of drawing and quenching involved in the preparation of glass-coated MnFePSi microwires in modification of the microstructure and magnetic properties as compared to the same bulk alloy. The provided studies prove the suitability of the Taylor–Ulitovsky method for the preparation of MnFePSi-glass-coated microwires.

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“…Chen et al (2020) reported the large magnetic entropy change and refrigeration capacity around RT in quinary Ni 41 Co 9-x Fe x Mn 40 Sn 10 alloys (x = 2.0, 2.5). Tu et al (2022) adopted machine learning methods to predict the magnetocaloric performance of Mn-Fe-P-Si compounds for the first time and their work has the potential to solve the challenges and boost the research of Mn-Fe-P-Si alloys. Perween et al (2022) investigated the magnetocaloric effect and critical behavior in Mn 3− x Fe x Sn 2 (x = 0.3, 0.7) alloys synthesized by melting method, further found successive magnetic transitions with large refrigerant capacity in Mn 3− x Fe x Sn 2 (x = 0.3, 0.7) alloys.…”

Section: Introductionmentioning

confidence: 99%