A (Spin) Polarised World: Multiscale Modelling of Magnetic Materials for Energy Applications
Date:
Invited seminar in the Nanomagnetism Group at Northeastern University, Boston.
Abstract
Magnetic materials surround us in our everyday lives. Examples range from the magnetically ‘soft’ core of an electrical transformer, through to the permanent magnets used in a modern electric motor, all the way down to the magnetic oxides used as recording materials in hard disc drives. Deepening our understanding of the fundamental physics giving these materials their desirable properties has the potential to enable development of improved materials for both new and existing applications. In addition, amid a global ‘critical materials’ crisis, there is a growing desire to discover sustainable alternatives to some of the established magnetic materials and consequently reduce pressure on global raw-materials reserves.
In this talk, I will elucidate the crucial role that theory and computational modelling play in developing our understanding of magnetic materials and optimising their physical properties for applications. The focus will be on materials modelling at the atomic length scale, using density functional theory (DFT) calculations and interatomic potentials. I will demonstrate how the magnetic state of an alloy can affect how atoms prefer to arrange themselves [1], how these atomic arrangements can influence a material’s magnetic properties [2], and also give examples of how machine learning can accelerate the materials modelling process [3].
References
[1] C. D. Woodgate, D. Hedlund, L. H. Lewis, J. B. Staunton, Phys. Rev. Materials 7, 053801 (2023).
[2] C. D. Woodgate, C. E. Patrick, L. H. Lewis, J. B. Staunton, J. Appl. Phys. 135, 163905 (2023).
[3] L. Shenoy, C. D. Woodgate, J. B. Staunton, et al., Phys. Rev. Materials 8, 033804 (2024).