mamonca: magnetic Monte Carlo code

Magnetic interactions account for a significant portion of free energy in certain materials, ranging from relatively simple systems such as iron to complex magneto-caloric effects of Heusler alloys (Weiss & Piccard, 1917).More specifically, in the case of iron, the ground state would be wrongly predicted without considering magnetic interactions (Frik et al., 2001).In Heusler systems, the understanding of magnetic properties could allow for the development of highly efficient refrigeration systems.In materials science, the Heisenberg model is frequently employed to heuristically compute the magnetic part of the potential energy.There are two main methods to make use of the Heisenberg model at finite temperature: one is the Monte Carlo method for an efficient free energy minimization, the other is spin dynamics for the calculation of spin configuration evolution.The Monte Carlo method has the advantage of obtaining the free energy rapidly, while spin dynamics also delivers the kinetics of the system.mamonca allows for the evaluation of the Heisenberg Hamiltonian with extended terms using both Monte Carlo method and spin dynamics.

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Publication Details

Journal
The Journal of Open Source Software
Published
2024-08-15
DOI
https://doi.org/10.21105/joss.06194
Primary Topic
Chemistry and Stereochemistry Studies
Type
article
Field-Weighted Citation Impact
0.00

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article

mamonca: magnetic Monte Carlo code

Tilmann Hickel, Jörg Neugebauer, Osamu Waseda
The Journal of Open Source Software
Chemistry and Stereochemistry Studies
article

mamonca: magnetic Monte Carlo code

Tilmann Hickel, Jörg Neugebauer, Osamu Waseda
article en

Abstract

Magnetic interactions account for a significant portion of free energy in certain materials, ranging from relatively simple systems such as iron to complex magneto-caloric effects of Heusler alloys (Weiss & Piccard, 1917).More specifically, in the case of iron, the ground state would be wrongly predicted without considering magnetic interactions (Frik et al., 2001).In Heusler systems, the understanding of magnetic properties could allow for the development of highly efficient refrigeration systems.In materials science, the Heisenberg model is frequently employed to heuristically compute the magnetic part of the potential energy.There are two main methods to make use of the Heisenberg model at finite temperature: one is the Monte Carlo method for an efficient free energy minimization, the other is spin dynamics for the calculation of spin configuration evolution.The Monte Carlo method has the advantage of obtaining the free energy rapidly, while spin dynamics also delivers the kinetics of the system.mamonca allows for the evaluation of the Heisenberg Hamiltonian with extended terms using both Monte Carlo method and spin dynamics.

The Journal of Open Source SoftwareVol. 9(100)
Max-Planck-Institut für Nachhaltige Materialien (DE)
Deutsche Forschungsgemeinschaft, Agence Nationale de la Recherche
Affordable and clean energy
Openalex Percentile: Top 91%
Chemistry and Stereochemistry Studies
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mamonca: magnetic Monte Carlo code — Tilmann Hickel, Jörg Neugebauer, et al. · The Journal of Open Source Software (2024) | TGRS Research Map | TGRS