摘要
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/cm3, 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.
For liquid Ti, it is difficult to achieve high undercooling because of its available on its properties and structure in the undercooled state. In this chemical reactivity; as a result, there is little information 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/cm3, 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.
基金
supported by the National Natural Science Foundation of China (50971103 and 50971105)
the Program for New Century Excellent Talents
the Natural Science Foundation of Shaanxi Province (2010JQ6004)
the Shaanxi Project for Young New Star in Science and Technology
the NPU Foundation for Fundamental Research
