Density and structure of undercooled liquid titanium

For liquid Ti, it is difficult to achieve high undercooling because of its chemical reactivity; as a result, there is little information available on its properties and structure in the undercooled state. In this study, we investigate the density and structure, using molecular dynamics method, for the undercooling and superheating ranges 0-743 K and 0-457 K. The density increases quadratically for undercooling. At the melting temperature, the density is 4.14 g/cm ³, and first and second temperature coefficients are obtained. The pair correlation functions and coordination numbers indicate that the short range degree of order becomes increasingly significant with increasing undercooling.