Precipitation Reactions in Nickel—Hydrogen System: ab initio Study

• Published in: Металлофизика и новейшие технологии
• Date: 2016
• Main Author: Teus, S.M.
• Format: Article
• Language: English
• Published: Інститут металофізики ім. Г.В. Курдюмова НАН України 2016
• Subjects: Электронные структура и свойства
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/112582
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Precipitation Reactions in Nickel—Hydrogen System: ab initio Study / S. M. Teus // Металлофизика и новейшие технологии. — 2016. — Т. 38, № 6. — С. 737-750. — Бібліогр.: 43 назв. — англ.

A type of precipitation reactions in the nickel—hydrogen system is studied by means of first-principle atomic calculations. The concentration dependence of solution enthalpy is calculated, and its second derivative is shown to be negative within the hydrogen-to-nickel ratios, H/Ni, of 0.03—0.75. Thi...