The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F21%3A10247412" target="_blank" >RIV/61989100:27640/21:10247412 - isvavai.cz</a>
Alternative codes found
RIV/61989100:27740/21:10247412
Result on the web
<a href="https://github.com/pnieves2019/MAELAS" target="_blank" >https://github.com/pnieves2019/MAELAS</a>
DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
MAELAS
Original language description
The software MAELAS calculates magnetocrystalline anisotropy energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an automated way by Density Functional Theory calculations. The program is based on the length optimization of the unit cell proposed by Wu and Freeman to calculate the magnetostrictive coefficients for cubic crystals. In addition to cubic crystals, this method is also implemented and generalized for other types of crystals that may be of interest in the study of magnetostrictive materials.
Czech name
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Czech description
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Classification
Type
R - Software
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/EF16_013%2F0001791" target="_blank" >EF16_013/0001791: IT4Innovations national supercomputing center - path to exascale</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Internal product ID
006/06-05-2021_SW
Technical parameters
Python>=3.6
Economical parameters
This software code could be used to design new low-cost, rare-earth materials with huge magnetostriction. Therefore, it could help to explore new families of magnetic materials and thus eliminate the industrial dependence of the value chain of magnetostrictive materials on critical raw materials.
Owner IČO
61989100
Owner name
VŠB - Technical University of Ostrava, IT4Innovations