Hydrogen interactions with dislocations in iron

MARIA ESTELA PRONSATO; GRACIELA BRIZUELA,; ALFREDO JUAN,

Granada

Congreso; 6th Granada Seminar on Computational Physics; 2000

In this work we use the ASED-MO method to study the interactions and discuss the electronic consequences of incorporating H near a Fe edge dislocation. Calculations were carried out for one and two H atoms considering the possibility of a H-H interaction and its effect on the Fe-Fe bonding and the electronic structure.