Durga Paudyal, an associate scientist at Ames Laboratory and adjunct associate professor of Electrical and Computer Engineering at Iowa State University, will speak on Prediction of Reduced Rare Earth Permanent Magnets from Theory and Computation in a webinar starting at noon Mountain Time on April 8, 2020.
The very first criterion for permanent magnetic material prediction is crystal structure which allows magnetic moments to align along the anisotropic crystal axis. Hexagonal and tetragonal structures do fall within this category. The non-equivalent crystal sites in a complex structure play a key role in determining the magnetic moments, uniaxial magnetic anisotropy, and chemical stability.
Employing advanced density functional theory (DFT), which includes electron correlation and spin orbit coupling, we first analyze theoretically predicted intrinsic permanent magnetic properties (magneto-crystalline anisotropy, magnetic moment, and magnetic order-disorder transition temperature) of known model permanent magnetic materials such as Nd2Fe14B, NdFe12N, SmCo5, and Sm2Co17.
Next, we present how our electronic structure calculations with site substitution strategy, known as site engineering, allow us to reduce critical rare earths and transition elements without affecting intrinsic permanent magnetic properties.
We then present our newly predicted champion as well as gap permanent magnet materials with the help from these site engineering strategies and calculations.
This is a public webinar.