New opportunities in structure of metallic glass - X-ray diffraction and X-ray absorption spectroscopy assisted by reverse Monte Carlo computation

Professor E. Ma (Johns Hopkins University, USA) and his colleagues recently succeeded in explaining the atomic packing of metallic glasses, which are of great importance due to their distinctive mechanical and magnetic properties. The structure is known as 'amorphous' (non-crystalline) and shows no sharp Bragg peaks in the X-ray diffraction pattern. The research group adopted quite a unique strategy; first, they aimed at obtaining 3D pictures in the short-to-medium range, unlike conventional atomic-level analysis, which looks only at short-range order, and secondly, they did not resort to a predetermined structural model but used reverse Monte Carlo simulations based on experimental X-ray diffraction and absorption data. One of their key findings was that metallic glass atoms do not arrange themselves in a completely random way. Instead, groups of 7-15 atoms tend to arrange themselves around a central atom, forming 3D shapes called Kasper polyhedra, which join together in unique ways as small nanometer-scale clusters. For more information, see the paper, "Atomic packing and short-to-medium-range order in metallic glasses", H. W. Sheng et al., Nature, 439, 419-425 (2006).