Density and structure of undercooled liquid titanium  

作　　者：HaiPeng Wang ShangJing Yang BingBo Wei 

机构地区：[1]NW Polytech Univ, Dept Appl Phys, Xian 710072, Peoples R China

出　　处：《Chinese Science Bulletin》2012年第7期719-723,共5页

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

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.

关 键 词：深过冷 密度 结构 液体 分子动力学方法 钛 化学反应 熔融温度 

分 类 号：TG146.15[一般工业技术—材料科学与工程] O552.421[金属学及工艺—金属材料]