Narrow Results

The Fe–C–H interaction near defects in iron structures was studied using qualitative structure calculations in the framework of the atom superposition and electron delocalization molecular orbital. Calculations were performed using three Fe clusters to simulate an edge dislocation, a divacancy; both in bcc iron and a stacking fault in an fcc iron structure. In all cases, the most stable location for C atom inside the clusters was determined. Therefore, H atom was approximated to a minimum energy region where the C atom resides. The total energy of the cluster decreases when the C atom is located near the defects zone. In addition, the presence of C in the defects zone makes no favorable H accumulation. The C acts as an expeller of H in a way that reduces the hydrogen Fe–Fe bonds weakening.

In this paper, we investigate the influence of temperature on the nickel grain boundary equilibrium segregation of sulfur and the resulting intergranular fracturing susceptibility. Auger electron spectroscopy has been used to study equilibrium segregation of sulfur to the grain boundaries of a metallic nickel, with a mass bulk content of 3.6ppm in sulfur. Samples were first annealed at adequate temperatures for sufficiently large equilibrium time, and then quenched in water at room temperature. The analysis carried out shows a significant increase of sulfur concentration in the grain boundary with decreasing temperature. However, the sulfur content in the grain boundary shows a drastic shrink at 700${}^{\circ }$C. This can be interpreted by the formation of an aggregate sulfide compound in the area of the grain boundaries. At 650${}^{\circ }$C, in situ brittle fracture becomes unworkable and only intragranular fractures are observed. Using the results obtained through the investigation of the grain boundaries by Auger spectroscopy, the standard segregation energy is estimated as $\mathrm{\Delta }{G}_0=-(100÷76)kJ∕mol$.