121 citations · 478 across the 15 of their papers we have counts for
15 papers
Automated calculations of exchange magnetostriction
P. Nieves, S. Arapan, S. H. Zhang +3
We present a methodology based on deformations of the unit cell that allows to compute the isotropic magnetoelastic constants, isotropic magnetostrictive coefficients and spontaneo…
First-principles calculations of the spontaneous volume magnetostriction based on the magnetoelastic energy
P. Nieves, S. Arapan, D. Legut
We present a simple methodology to compute the spontaneous volume magnetostriction with first-principles calculations on the basis of the magnetoelastic energy. This method makes u…
Atomistic simulations of magnetoelastic effects on sound velocity
P. Nieves, J. Tranchida, S. Nikolov +2
In this work, we leverage atomistic spin-lattice simulations to examine how magnetic interactions impact the propagation of sound waves through a ferromagnetic material. To achieve…
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…
Influence of grain morphology and orientation on saturation magnetostriction of polycrystalline Terfenol-D
P. Nieves, D. Legut
In this work we computationally study the effect of microstructure on saturation magnetostriction of Terfenol-D (TbDyFe) by means of Finite Element Method.…
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…
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…
Database of novel magnetic materials for high-performance permanent magnet development
P. Nieves, S. Arapan, J. Maudes +16
This paper describes the open Novamag database that has been developed for the design of novel Rare-Earth free/lean permanent magnets. The database software technologies, its frien…
Magnetization switching of FePt nanoparticle recording medium by femtosecond laser pulses
R. John, M. Berritta, D. Hinzke +11
Manipulation of magnetization with ultrashort laser pulses is promising for information storage device applications. The dynamic of the magnetization response depends on the energy…
Multiscale modeling of ultrafast element-specific magnetization dynamics of ferromagnetic alloys
D. Hinzke, U. Atxitia, K. Carva +4
A hierarchical multiscale approach to model the magnetization dynamics of ferromagnetic ran- dom alloys is presented. First-principles calculations of the Heisenberg exchange integ…
Quantum Landau-Lifshitz-Bloch equation and its comparison with the classical case
P. Nieves, D. Serantes, U. Atxitia +1
The detailed derivation of the quantum Landau-Lifshitz-Bloch (qLLB) equation for simple spin-flip scattering mechanisms based on spin-phonon and spin-electron interactions is prese…
Speed limit of FePt spin dynamics on femtosecond timescales
J. Mendil, P. C. Nieves, O. Chubykalo-Fesenko +4
Magnetization manipulation is becoming an indispensable tool for both basic and applied research. Theory predicts two types of ultrafast demagnetization dynamics classified as type…
The Landau-Lifshitz-Bloch equation for ferrimagnetic materials
U. Atxitia, P. Nieves, O. Chubykalo-Fesenko
We derive the Landau-Lifshitz-Bloch (LLB) equation for a two-component magnetic system valid up to the Curie temperature. As an example, we consider disordered GdFeCo ferrimagnet w…