Ab initio modeling of vacancy-point defects interaction in BCC iron
Автор: Rakitin Maxim Sergeevich, Ruzanova Galina Evgenyevna, Mirzoev Aleksandr Aminulaevich, Ursaeva Anastasia Vladimirovna
Рубрика: Физика
Статья в выпуске: 10 (227), 2011 года.
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Ab initio modeling of the hydrogen and vacancy - solute atom complex interaction in bcc iron are carried out. The equilibrium position and hydrogen energy trap are obtained. It was shown, that a hydrogen bond with the vacancy - solute atom complex is mainly determined by the hydrogen - vacancy interaction.
Ab initio, bcc iron, hydrogen, point defects
Короткий адрес: https://sciup.org/147158660
IDR: 147158660
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