Using First Principles Calculations and Electro-Pulse Annealing to Design and Manufacture Low-Cost Permanent Magnets

使用第一原理计算和电脉冲退火来设计和制造低成本永磁体

• 批准号: 2032592
• 负责人: Ian Baker
• 金额: $ 51.27万
• 依托单位: Dartmouth College
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-04-01 至 2025-03-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2032592&HistoricalAwards=false
• 关键词: Using; First; Principles; Calculations; Electro

Demand for high-performance permanent magnets is increasing rapidly for applications such as wind turbine generators and electric and hybrid car motors. Samarium-cobalt (Sm-Co) and Neodymium-iron-boron (Nd-Fe-B) rare earth magnets are generally used for such challenging applications. While rare earth magnets are the best currently available permanent magnets, they tend to be brittle, suffer from thermal shock and experience corrosion. Additionally, rare earth mining has been associated with severe environmental degradation and prohibitive energy usage. Nickel-iron, which has been identified in meteorites as the compound Tetrataenite where it transformed from a high temperature phase to a low temperature magnetic phase over thousands of years, has magnetic properties comparable to that of rare earth magnets. This award develops nickel-iron based permanent magnets using quantum-mechanical calculations to predict the effects of alloying and experiments to verify the effects of these additional elements on the transformation kinetics and magnetic properties of these materials. A novel pulsed electrical heating is used to accelerate the phase transformation. The development of novel nickel-iron magnets enables production of permanent magnets at low cost, which impacts the U.S. economy and security. The project engages women and under-represented minorities in multi-disciplinary research activities and develops a website that offers simple virtual experiments to explain to a wide audience magnetism and the materials science of permanent magnets.The L10-structured compound nickel-iron (NiFe) has the potential to replace rare earth (RE) magnets at low cost. NiFe has a magnetic anisotropy energy, ku, of 1.3 x 106 J.m-3 and a saturation magnetization m0MS of 1.59 Tesla, which is comparable to that of Nd2Fe14B, and it has good corrosion resistance. The challenge is that the binary L10 compound has a very low transformation temperature from the high-temperature face centered cubic (f.c.c.) phase of about 320oC that forms on casting and, thus, orders very slowly at temperatures where it is stable. This project combines ab initio quantum mechanical calculations and experimental work to design new L10-structured NiFe magnets with ternary elemental additions. These ternary compounds potentially have a significantly higher f.c.c.-to-L10 transformation temperatures and higher diffusivities than binary NiFe but have similar saturation magnetizations. Thus, the L10 phase can be produced at higher temperature in short, commercially-viable times utilizing electro-pulse annealing of cold-worked material, which has also been shown to dramatically accelerate recrystallization in NiFe. Commercially, NiFe can be manufactured by continuous electro-pulse annealing of rolls of sheet material or of rods and, being ductile, can easily be machined into various shapes.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

对于风力涡轮机发电机以及电动和混合汽车电动机等应用，对高性能永久磁铁的需求正在迅速增加。通常将Samarium-Cobalt（SM-CO）和Neododmim-Iron-Boron（ND-FE-B）稀土磁铁用于此类具有挑战性的应用。虽然稀土磁铁是目前最佳的永久磁铁，但它们往往会易碎，受到热冲击和经验腐蚀。此外，稀土开采与严重的环境降解和过度使用能量有关。镍铁在陨石中已被鉴定为化合物四烯酸盐，在数千年中，它从高温相变成了低温磁相变为低温磁相，具有与稀土磁体相当的磁性性能。该奖项使用量子力学计算开发基于镍铁的永久磁铁，以预测合金和实验的影响，以验证这些附加元素对这些材料转化动力学和磁性的影响。新型的脉冲电加热用于加速相变。新颖的镍铁磁铁的发展使得永久磁铁以低成本的形式产生，这会影响美国的经济和安全。该项目与女性和代表性不足的少数群体参与多学科研究活动，并开发了一个网站，该网站提供了简单的虚拟实验，以向广泛的受众磁性解释和永久磁铁的材料科学。有可能以低成本更换稀土（RE）磁铁。 Nife的磁各向异性能量KU为1.3 x 106 j.m-3，饱和磁化M0ms为1.59 Tesla，与ND2FEE14B相当，并且具有良好的耐腐蚀性。面临的挑战是，二进制L10化合物的转化温度非常低，从大约320OC的高温面中心（F.C.C.）相位，在铸造上形成了大约320OC，因此在其稳定的温度下订购非常缓慢。该项目结合了量子量子机械计算和实验工作，以设计新的L10结构化Nife磁铁和三元元素添加。这些三元化合物可能具有比二进制Nife的F.C.C.-C.-C.-C.-C.-C.-C.-C.-C.-to-L10转化温度和更高的扩散性，但具有相似的饱和磁化。因此，利用冷工作材料的电脉冲退火，可以在较高的，商业上可行的时期在较高的温度下产生L10相，这也已被证明可以在Nife中显着加速重结晶。在商业上，可以通过连续的电脉冲退火来制造Nife，可以轻松地将其加工成各种形状。该奖项反映了NSF的法定任务，并被认为是值得通过使用评估的支持，基金会的智力优点和更广泛的影响评论标准。

项目成果

Suppression of anti-phase boundary defects in Mn-Al-Ti permanent magnets

• DOI: 10.1016/j.actamat.2023.119646
• 发表时间: 2023-12
• 期刊: Acta Materialia
• 影响因子: 9.4
• 作者: Thomas Keller;Dylan Barbagallo;Tushar Kanti Ghosh;Natalya Sheremetyeva;G. Hautier;Ian Baker

The phase transformation behavior of Mn-Al rare-earth-free permanent magnets

• DOI: 10.1016/j.jmmm.2023.171331
• 发表时间: 2023-09
• 期刊: Journal of Magnetism and Magnetic Materials
• 影响因子: 2.7
• 作者: Thomas Keller;Dylan Barbagallo;Natalya Sheremetyeva;Tushar Kanti Gosh;Katherine S. Shanks;G. Hautier;Ian Baker