Computer prediction technology can be paired with new magnetic materials


Although magnets are everywhere in daily life, magnetism is still very rare in metal. At present, humans have found that 5% of known inorganic compounds will show some magnetic force, because part of the magnetic force is generated at a specific temperature, so in fact, the real application of magnetic materials in reality is still relatively small. Materials scientists at Duke University have used computer models to quickly predict the magnetic properties of new materials.

The research is described in the journal Science Advances. The scientists selected 55 elements and put any three of them together. According to the computer model, out of 236,115 possible combinations, 14 had the potential to act as magnetic materials. To confirm the accuracy of the screening, the scientists used computer models to match two of the substances - one combining cobalt, magnesium and titanium, and the other magnesium, palladium and platinum - and tested that the two substances did indeed have computer-simulated magnetic and other properties, in particular the ability of cobalt-magnesium-titanium alloys to retain magnetic properties at extremely high temperatures. It is a magnetic substance that does not contain rare earth metals but has this property, and it may be possible to use this material in the future.

According to the team, "Any of these new magnets could prove useful in the future, but this is not really important." The important thing is that rapid prediction technology is a major revolution for materials science, and it will be invaluable in moving materials science forward."

The project was supported by Science Foundation Ireland, the European Commission and the National Science Foundation (DGF1106401). But what surprises this technology can bring us in the future, we can only wait and see.