Reprint of Multiscale model approaches to the design of advanced permanent magnets

Abstract

We describe the process of multiscale modelling of magnetic materials, based on atomistic models coupled parametrically to micromagnetic calculations. At the atomistic lengthscale we use Spin Dynamics (SD) to study switching mechanisms, using structures predicted by Molecular Dynamics. The process is completed using SD to calculate the cell size and temperature dependent parameters for micromagnetic calculations. We demonstrate an unusually weak cell size scaling for Nd2Fe14B and demonstrate numerically the existence of atomic scale Barkhausen jumps during magnetization switching. Scaling of magnetic properties is shown to be important in micromagnetic calculations of hysteresis, especially considering variation in micromagnetic cell size.