1 This article will form part of a virtual special issue on advanced neutron scattering instrumentation, marking the 50th anniversary of the journal.Keywords: neutron diffraction; energy discrimination; cross-correlation technique; time-of-flight neutron beamlines.Implementation of cross correlation for energy discrimination on the time-of-flight spectrometer CORELLI The CORELLI instrument at Oak Ridge National Laboratory is a statistical chopper spectrometer designed and optimized to probe complex disorder in crystalline materials through diffuse scattering experiments. On CORELLI, the high efficiency of white-beam Laue diffraction combined with elastic discrimination have enabled an unprecedented data collection rate to obtain both the total and the elastic-only scattering over a large volume of reciprocal space from a single measurement. To achieve this, CORELLI is equipped with a statistical chopper to modulate the incoming neutron beam quasi-randomly, and then the cross-correlation method is applied to reconstruct the elastic component from the scattering data. Details of the implementation of the cross-correlation method on CORELLI are given and its performance is discussed.

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The family of two-dimensional magnetic materials M(II)PS(3) where M = Mn, Fe, Ni, Mg, Zn, etc shows a wide range of fascinating magnetic behaviour. It also shows potentially useful chemical properties including intercalation of nonlinear optical molecules and lithium ions. These properties are due to a crystal structure in which the ab planes are well-ordered in the plane but poorly correlated along c. Here, the short-range ordering is modelled in NiPS(3) and Ni(1 - x)Mg(x)PS(3) (x = 0.3). X-ray diffuse scattering from NiPS(3) shows pronounced streaking along c, indicative of stacking faulting in these layered compounds. Electron diffraction from Ni(1 - x)Mg(x)PS(3) (x = 0.3) shows substantial diffuse scattering due to short-range order within the ab plane, and this can be modelled by allowing the metal species to cluster. The possibility of clustering has implications for interpretation of the magnetic behaviour of the family, including the glassiness observed in Fe(1 - x)Mn(x)PS(3).

Mixtures of 47-Al and 53-Ti powders (atomic %) have been consolidated using back pressure equal-channel angular pressing starting with both raw and ball-milled powders. In situ synchrotron high-energy X-ray diffraction studies are presented with continuous Rietveld analysis obtained upon a heating ramp from 300 K to 1075 K performed after the consolidation process. Initial phase distributions contain all intermetallic compounds of this system except Al, with distribution maxima in the outer regions of the concentrations (alpha-Ti, TiAl(3)). Upon annealing, the phase evolution and lattice parameter changes owing to chemical segregation, which is in favour for the more equilibrated phases such as gamma-TiAl, alpha(2)-Ti(3)Al and TiAl(2), were followed unprecedentedly in detail. An initial delta-TiH(2) content with a phase transition at about 625 K upon heating created an intermediate beta-Ti phase which played an important role in the reaction chain and gradually transformed into the final products.

The ability of the pair distribution function (PDF) analysis of total scattering (TS) from a powder to determine the local ordering in ferroelectric PZN (PbZn 1/3 Nb 2/3 O 3 ) has been explored by comparison with a model established using single-crystal diffuse scattering (SCDS). While X-ray PDF analysis is discussed, the focus is on neutron diffraction results because of the greater extent of the data and the sensitivity of the neutron to oxygen atoms, the behaviour of which is important in PZN. The PDF was shown to be sensitive to many effects not apparent in the average crystal structure, including variations in the B-site-O separation distances and the fact that h110i Pb 2+ displacements are most likely. A qualitative comparison between SCDS and the PDF shows that some features apparent in SCDS were not apparent in the PDF. These tended to pertain to short-range correlations in the structure, rather than to interatomic separations. For example, in SCDS the short-range alternation of the B-site cations was quite apparent in diffuse scattering at ( 1 2 1 2 1 2 ), whereas it was not apparent in the PDF.