
The results of calculating the total and surface energies depending on the number of layers of metal slabs of Al and Cu were presented. The calculated values of the parameters of the interlayer relaxation for different orientations of the metal surface compared with a large number of experimental data.
Представлены результаты расчета полной и поверхностной энергий в зависимости от количества слоев металлической пластины для систем Al и Cu. Рассчитанные значения параметров межслоевой релаксации для различных ориентаций поверхностной грани сопоставлены с большим количеством экспериментальных данных.
ПЕРВОПРИНЦИПНЫЕ РАСЧЕТЫ, ПОВЕРХНОСТНЫЕ СВОЙСТВА, ПОВЕРХНОСТНАЯ ЭНЕРГИЯ, МЕЖСЛОЕВАЯ РЕЛАКСАЦИЯ
ПЕРВОПРИНЦИПНЫЕ РАСЧЕТЫ, ПОВЕРХНОСТНЫЕ СВОЙСТВА, ПОВЕРХНОСТНАЯ ЭНЕРГИЯ, МЕЖСЛОЕВАЯ РЕЛАКСАЦИЯ
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