Influence of impurities on hydrogen dissolution in BCC iron
Автор: Mirzoev Alexandr Aminulaevich, Mirzaev Jhalal Aminulovich, Rakitin Maxim Sergeevich
Рубрика: Физика
Статья в выпуске: 10 (227), 2011 года.
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Influence of small concentrations of impurities (Pd, Ti, Cr, Mn, V) on hydrogen dissolution energy in bcc iron has been investigated by ab initio calculations based on density functional theory. Volume effects during the impurities insertion have been studied. Pd, Ti, and Cr solutes were found to have the most effect on hydrogen dissolution energy, what explains hydrogen trapping on them.
Hydrogen adsorption, hydrogen traps, iron alloys, density functional theory, wien2l, ab initio calculations
Короткий адрес: https://sciup.org/147158673
IDR: 147158673
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