für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

In machining, due to the tool vibration the forces, temperatures and stresses vary during the cutting process, so as the residual stresses over the machined surface. This variation of the residual stress has never been measured and, therefore, imposes new experimental challenges. The objective of this work is to correlate the variation of the residual stresses along the cutting path with the fr...

The structure of molten ZnCl2 is investigated using a combination of computer simulation and experimental methods. Ab initio molecular dynamics (AIMD) is used to model the structure of ZnCl2 at 600 K. The structure factors and pair distribution functions derived from AIMD show a good match with those previously measured by neutron diffraction (ND). In addition, Raman spectroscopy is used to inv...

A family of phases, Co x TiS2 (0 ≤ x ≤ 0.75) has been prepared and characterised by powder X-ray and neutron diffraction, electrical and thermal transport property measurements, thermal analysis and SQUID magnetometry. With increasing cobalt content, the structure evolves from a disordered arrangement of cobalt ions in octahedral sites located in the van der Waals' gap (x ≤ 0.2), through three ...

[1] We have investigated greigite (Fe3S4) using a combination of neutron powder diffraction and polarized neutron diffraction to give the first unambiguous assignment of its magnetic structure. Our results confirm that greigite has a collinear ferrimagnetic structure with antiferromagnetic coupling between the tetrahedral (A) and octahedral (B) sites. Our analysis also indicates that greigite d...

Manganese and its nitrides have recently been shown to co-catalyse the ammonia decomposition reaction. The nitriding reaction of manganese under ammonia decomposition conditions is studied in situ simultaneously by thermogravimetric analysis and neutron diffraction. Combining these complementary measurements has yielded information on the rate of manganese nitriding as well as the elucidation o...