Preferred orientation in granitic mylonites from the Santa Rosa mylonite zone in Southern California is investigated with time-of-flight neutron diffraction. Quartz and biotite display strong preferred orientation, whereas, feldspar alignment is weak. For quartz, a c-axis maximum in the intermediate fabric direction is consistent with dynamic recrystallization. Pole figures for positive and neg...

In-situ powder neutron diffraction studies have been performed during the heating treatment of a set of Nb3Sn wires obtained by the internal tin process. The different phases appearing during the process have been evidenced. A strong reorientation of the deformed copper and niobium metals induces an orientation on the Nb3Sn formed. Among the phases formed, the δ-CuSn phase is decomposed at 890K...

Perovskite-related materials have received increasing attention for their broad applications in photovoltaic solar cells and information technology due to their unique electrical and magnetic properties. Here we report three new antiperovskite chalco-halides: Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br. All of them were found to be good solar light absorbers. Remarkably, although the shortest Fe...

Kinetic in situ neutron diffraction has been used to study the crystallization of amorphous Y67Fe33. The results show that partial crystallization first occurs close to 300 ◦C where the Y phase is formed. The entire sample crystallizes at 390 ◦C and new Bragg peaks appear, signifying the formation of a novel Y–Fe phase. This new phase coexists with Y to 450 ◦C when the Bragg peaks associated wi...

Galectin-3 is an important protein in molecular signalling events involving carbohydrate recognition, and an understanding of the hydrogen-bonding patterns in the carbohydrate-binding site of its C-terminal domain (galectin-3C) is important for the development of new potent inhibitors. The authors are studying these patterns using neutron crystallography. Here, the production of perdeuterated h...

The morphotropic phase boundary in the phase diagram of the technologically important Pb(ZrxTi1-x)O3 (PZT) ceramics has been traditionally believed to separate ferroelectric tetragonal and rhombohedral phase regions. This old picture has come under close scrutiny during the last eight years following the discovery of new monoclinic phases in the Cm and Cc space groups. This article presents a b...

2014 Evidence for fast oxygen diffusion in the H and X high temperature phases of La2O3 is presented from neutron diffraction background analysis and neutron quasielastic scattering data. In the X phase at 2160 °C the translational self diffusion coefficient is of the order of 3 x 10-5 cm2/s and the mean time between jumps on neighbouring tetrahedral sites is around 1.4 x 10-12 s. These are typ...

Hydrogen exchange has been studied in a single crystal of RNase A [ribonuclease (pancreatic), EC 3.1.27.5] in the course of a neutron structure investigation. Refinement of the occupancies of amide hydrogens provided information about the kind of isotope present in each site and also provided estimates of the errors associated with the measurement. Twenty-eight of the 120 peptide amide hydrogen...

The clathrate hydrates occur in various types in which the number, size, and shape of the various cages differ. Usually the clathrate type of a specific guest is predicted by the size and shape of the molecular guest. We have developed a methodology to determine the clathrate type employing molecular mechanics with the MMFF force field employing a strategy to calculate the energy of formation o...