Neutron quasi-elastic scattering in disordered solids: a Monte Carlo study of metal-hydrogen systems

The dynamic structure factor of neutron quasi-elastic scattering has been calculated by Monte Carlo methods for atoms diffusing on a disordered lattice. The disorder includes not only variation in the distances between neighbouring atomic sites but also variation in the hopping rate associated with each site. The presence of the disorder, particularly the hopping rate disorder, causes changes in the time-dependent intermediate scattering function which translate into a significant increase in the intensity in the wings of the quasi-elastic spectrum as compared with the Lorentzian form. The effect is particularly marked at high values of the momentum transfer and at site occupancies of the order of unity. The MC calculations demonstrate how the degree of disorder may be derived from experimental measurements of the quasi-elastic scattering. The model structure factors are compared with the experimental quasi-elastic spectrum of an amorphous metal-hydrogen alloy.

Parallelisation of a 3-D electromagnetic scattering code

A high-frequency time domain finite element scattering code using a combination of edge and piecewise constant elements on unstructured tetrahedral meshes is described. A comparison of computation with theory is given for scattering from a sphere. A parallel implementation making use of the bulk synchronous parallel (BSP) programming model is described in detail; a BSP performance model of the parallelized field calculation is derived and compared to timing measurements on up to 128 processors on a Cray T3D.