Total neutron scattering and data analysis in a virtual experiment: a case study on heavy water with a vanadium calibration sample.

A total scattering neutron instrument is simulated using a ray-tracing package to evaluate the technique and data reduction algorithms. The neutron guide and chopper system were first optimized to obtain the highest neutron flux with satisfactory angular divergence. Next, a series of virtual experiments were conducted using heavy water and calibration vanadium samples. Data analysis algorithms were also developed. The resultant simulated sample static structure factor was in excellent agreement with the experimental measurements. Additionally, analytical and Monte Carlo methods are applied to account for multiple scattering in a variety of sample sizes. The effectiveness of this method and possible improvements are discussed. [ABSTRACT FROM AUTHOR]