Предсказание термодинамических и электронных свойств удвоенных полу-Гейслеровых сплавов на основе методов машинного обучения

Abstract

Based on data from the open Aflow database and other sources, a regression model is constructed that is used to predict properties of new class of double half Heusler alloys, such as lattice thermal conductivity, Grüneisen parameter, Debye temperature, band gap, magnetic moment per atom, etc.