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Modelling long-range interactions in multiscale simulations of\n ferromagnetic materials

2019/01/30 by Doghonay Arjmand, Arjmand, Doghonay, М Г Полуэктов +3
Computer Science · Physics and Astronomy · #Advanced Mathematical Modeling in Engineering #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Magnetic properties of thin films #Theoretical and Computational Physics

paper · pdf · doi:10.48550/arxiv.1901.11401

openalex publication_date 2019/01/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Atomistic-continuum multiscale modelling is becoming an increasingly popular\ntool for simulating the behaviour of materials due to its computational\nefficiency and reliable accuracy. In the case of ferromagnetic materials, the\natomistic approach handles the dynamics of spin magnetic moments of individual\natoms, while the continuum approximations operate with volume-averaged\nquantities, such as magnetisation. One of the challenges for multiscale models\nin relation to physics of ferromagnets is the existence of the long-range\ndipole-dipole interactions between spins. The aim of the present paper is to\ndemonstrate a way of including these interactions into existing\natomistic-continuum coupling methods based on the partitioned-domain and the\nupscaling strategies. This is achieved by modelling the demagnetising field\nexclusively at the continuum level and coupling it to both scales. Such an\napproach relies on the atomistic expression for the magnetisation field\nconverging to the continuum expression when the interatomic spacing approaches\nzero, which is demonstrated in this paper.\n

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