In recent years, it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse scattering in addition to the Bragg scattering holds the key to learning about defects in materials, the topic of many recent books. What has been missing is a detailed step-by-step guide on how to simulate disordered materials. The DISCUS cook book fills this need covering simple topics such as building a computer crystal to complex topics such as domain structures, stacking faults or using advanced refinement techniques to adjust parameters...
In recent years, it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse...