Data-driven design of B20 alloys with targeted magnetic properties guided by machine learning and density functional theory
نویسندگان
چکیده
منابع مشابه
Investigation of Nickle nanoclusters properties by density functional theory
Clusters play important role for understanding and transferring microscopic to macroscopic properties.Geometric and electron properties of Small nickel clusters up to the tetramer has been investigated by Density Functional Theory (DFT). Raising the number of nickel clusters atoms were indicated decreasing the average equilibrium (Ni-Ni) distance of atoms and also the binding energy of per atom...
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ژورنال
عنوان ژورنال: Journal of Materials Research
سال: 2020
ISSN: 0884-2914,2044-5326
DOI: 10.1557/jmr.2020.38