Experimental and RMC simulation study of liquid Cu6Sn5

The atomic structure of liquid Cu ₆Sn ₅ alloy at 640 °C has been investigated with neutron and X-ray diffraction. The experimental structure factors were used to perform computer modeling with the reverse Monte Carlo method. Three different series of simulations were carried out. It has been established that the partial structure factors modeled by combining the experimental data of the two independent measurements (XRD and ND) are reliable, while those modeled with only one set of the experimental data (XRD or ND) exhibit some non-physical features.