Winfried Kockelmann

Neutron diffraction of Cu–Zn–Sn ternary alloys: non-invasive assessment of the compositions of historical bronze/brass copper ternary alloys

Neutron diffraction can be used as a tool for the characterization of metal materials in a totally non-invasive mode. In binary alloys with two elements in solid solution, crystallographic structure analysis provides information on the overall element compositions of the metal, based on the linear relationship between elemental fractions and lattice parameters known as Vegards rule. However, for ternary solid-solution alloys the derivation of the overall metal composition is not straightforward because the problem is mathematically underdetermined. A number of artificially produced samples in the ternary system Cu–Zn–Sn, widely used in antiquity for gunmetal, were investigated by time-of-flight neutron diffraction, inductively coupled plasma mass spectroscopy, scanning electron microscopy with energy-dispersive X-ray spectroscopy and electron microprobe analysis. The multi-analysis approach allows definition of the limits and capabilities of neutron diffraction for obtaining the overall composition of a small sample set of ternary alloys, and thus moves the methodical approach a step forward even though it is applicable to the present sample set only. A relation showing an increasing Cu and Sn fraction counterbalanced by decreasing Zn content is presented, which allows the determination of the δ-phase composition from a lattice parameter measurement. Furthermore, the observed Zn loss up to 1.8 wt% for each melting step is of significance for the reconstruction of ancient technologies.

Bauschinger Effect in an Austenitic Steel: Neutron Diffraction and a Multiscale Approach

The generation of internal stresses/strains arising from mechanical deformations in single-phase engineering materials was studied. Neutron diffraction measurements were performed to study the evolution of intergranular strains in austenitic steel during sequential loadings. Intergranular strains expand due to incompatibilities between grains and also resulting from single-crystal elastic and plastic anisotropy. A two-level homogenization approach was adopted in order to predict the mechanical state of deformed polycrystals in relation to the microstructure during Bauschinger tests. A mechanical description of the grain was developed through a micro–meso transition based on the Kröner model. The meso–macro transition using a self-consistent approach was applied to deduce the global behavior. Mechanical tests and neutron diffraction measurements were used to validate and assess the model.

Neutron imaging data processing using the Mantid framework

Several imaging instruments are currently being constructed at neutron sources around the world. The Mantid software project provides an extensible framework that supports high-performance computing for data manipulation, analysis and visualisation of scientific data. At ISIS, IMAT (Imaging and Materials Science & Engineering) will offer unique time-of-flight neutron imaging techniques which impose several software requirements to control the data reduction and analysis. Here we outline the extensions currently being added to Mantid to provide specific support for neutron imaging requirements.