64 citations · 101 across the 5 of their papers we have counts for
7 papers
MAELAS 2.0: A new version of a computer program for the calculation of magneto-elastic properties
P. Nieves, S. Arapan, S. H. Zhang +3
MAELAS is a computer program for the calculation of magnetocrystalline anisotropy energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an automated way…
Spin-lattice model for cubic crystals
P. Nieves, J. Tranchida, S. Arapan +1
We present a methodology based on the Néel model to build a classical spin-lattice Hamiltonian for cubic crystals capable of describing magnetic properties induced by the spin-orbi…
MAELAS: MAgneto-ELAStic properties calculation via computational high-throughput approach
P. Nieves, S. Arapan, S. H. Zhang +3
In this work, we present the program MAELAS to calculate magnetocrystalline anisotropy energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an automate…
Large scale and linear scaling DFT with the CONQUEST code
Ayako Nakata, Jack Baker, Shereif Mujahed +8
We survey the underlying theory behind the large-scale and linear scaling DFT code, Conquest, which shows excellent parallel scaling and can be applied to thousands of atoms with e…
Computational Design of the Rare-Earth Reduced Permanent Magnets
A. Kovacs, J. Fischbacher, M. Gusenbauer +6
Multiscale simulation is a key research tool for the quest for new permanent magnets. Starting with first principles methods, a sequence of simulation methods can be applied to cal…
The influence of antiphase boundary of the MnAl -phase on the energy product
S. Arapan, P. Nieves, S. Cuesta-López +6
In this work we use a multiscale approach toward a realistic design of a permanent magnet based on MnAl -phase and elucidate how the antiphase boundary defects present in this m…