Computer simulation tests of optimized neutron powder diffractometer configurations

Recent work has developed a new mathematical approach to optimally choose beam elements for constant wavelength neutron powder diffractometers. This article compares Monte Carlo computer simulations of existing instruments with simulations of instruments using configurations chosen using the new approach. The simulations show that large performance improvements over current best practice are possible. The tests here are limited to instruments optimized for samples with a cubic structure which differs from the optimization for triclinic structure samples. A novel primary spectrometer design is discussed and simulation tests show that it performs as expected and allows a single instrument to operate flexibly over a wide range of measurement resolution.