Effect of hydrogen pair in an iron-nickel alloy embrittlement

Sandra Simonetti

doi:10.1186/2193-8865-3-81

Abstract

Computational calculations have been performed to study the location of two hydrogens in a vacancy zone of a Fe50Ni50 cell. H debilitates the original metal-metal bonds by forming strong interactions with local Fe atoms. H-metal exchange contributes to the absorption process. The interactions mainly involve 4 s and 4p metal atomic orbitals. The bond strength of Fe-Fe, Fe-Ni, and Ni-Ni, nearest neighbors to H, decreases to about 60%, 33%, and 20%, respectively, with the Fe-Fe bond as the most affected. The net H-H interaction is almost null; H2 molecule is not formed in the vacancy zone of the Fe50Ni50 cell.

Highlights

Due to the unique properties and characteristics of inorganic–organic nanohybrid materials in various industries, there is a great desire to prepare and study their applications
Temperature was evaluated in the range of 150–200 °C and the reaction time was evaluated in the range of 2 to 6 days and we concluded that suitable nanocrystals are formed at the temperature of 180 °C in 4 days
The results indicate that the ratio of Ni/Mo weight percentages is increased by raising the pH value

Summary

Introduction

Due to the unique properties and characteristics of inorganic–organic nanohybrid materials in various industries, there is a great desire to prepare and study their applications. The engineering of nanocrystals of inorganic–organic hybrid materials is focused on the two aspects in terms of their structural flexibility [6] and, secondly, their application as a catalyst, as gas storage, as ion sieve, in photochemistry and in electromagnetism [7,8,9,10,11,12,13,14]. Inorganic–organic hybrid materials composed of Mo and PPDA have been studied mostly in terms of crystal structure [32,33,34], but preparation of their nanoparticles has not been reported. The hydrothermal method has been used for the synthesis of NiSO4 and MoO3 nanostructure crystals using PPDA spacers. The effect of factors influencing the hydrothermal process and pH values on the morphology of nanocrystals as well as their luminescence properties has been discussed

Methods

Results

Conclusion