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.

高性能永磁体的需求正在迅速增加，如风力涡轮机发电机和电动和混合动力汽车电机的应用。钐钴（Sm-Co）和钕铁硼（Nd-Fe-B）稀土磁体通常用于这种具有挑战性的应用。虽然稀土磁体是目前最好的永磁体，但它们往往很脆，会受到热冲击和腐蚀。此外，稀土开采与严重的环境退化和禁止能源使用有关。镍铁在陨石中被鉴定为化合物Tetrataenite，在数千年的时间里从高温相转变为低温磁相，具有与稀土磁体相当的磁性。该奖项使用量子力学计算开发镍铁基永磁体，以预测合金化的影响，并通过实验验证这些额外元素对这些材料的相变动力学和磁性能的影响。采用一种新颖的脉冲电加热方法来加速相变。新型镍铁磁体的开发使永磁体的生产成本降低，这对美国的经济和安全产生了影响。该项目吸引妇女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，提供简单的虚拟实验，向广大受众解释永磁体的磁性和材料科学，L10结构的化合物镍铁（NiFe）有可能以低成本取代稀土（RE）磁体。NiFe的磁各向异性能ku为1.3 × 106 J.m-3，饱和磁化强度m0 MS为1.59特斯拉，与Nd 2Fe 14 B相当，并且具有良好的耐腐蚀性。挑战在于二元L10化合物具有非常低的从高温面心立方（f.c.c.）在铸造时形成的约320 ℃的相，因此在稳定的温度下有序化非常缓慢。本计画结合量子力学计算与实验研究，设计出具有三元元素添加的L10结构镍铁磁铁。这些三元化合物潜在地具有显著更高的f.c.c.-到L10的转变温度和比二元NiFe更高的扩散率，但具有相似的饱和磁化强度。因此，L10相可以利用冷加工材料的电脉冲退火在更高的温度下在短的商业上可行的时间内产生，这也已经显示出显著加速NiFe中的再结晶。在商业上，镍铁可以通过连续电脉冲退火的板材卷或棒来制造，并且具有延展性，可以很容易地加工成各种形状。该奖项反映了NSF的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

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