Using the Embedding Atom Method(EAM)for highly undercooled Ni3Al alloy,the melting point and the specific heat were studied by a molecular dynamics simula-tion.The simulation of melting point was carried out by means of the sandwich method and the NVE ensemble method,and the results show a good agreement,whereas are larger than the experimental value of 1663 K.This difference is attrib-uted to the influence of surface melting on experimental results,which causes the smaller measurements compared with the thermodynamic melting point.The simulated specific heat of Ni3Al alloy weakly and linearly increases with the in-crease of undercooling in the temperature range from 800 K to 2000 K.
YANG Hong,Lü YongJun,CHEN Min & GUO ZengYuan Department of Engineering Mechanics,Tsinghua University,Beijing 100084,China
A nanocrystal model for liquid metals and amorphous metals has been developed. With the nanocrystal model, the broadening peak profiles （BPPs） of Cu, Al, Al65Cu20Fe15 alloy, Cu7oNi30 alloy and Fe50Si50 alloy were gained by broadening the X-ray diffraction （XRD） peaks of a crystal lattice. By comparing the BPPs with the XRD intensity curves measured on the liquid metals, it is found that the BPPs are closely in agreement with the XRD intensity curves, respectively, except the FesoSiso alloy. Therefore, the nanocrystal model can be used to determine if the atomic cluster structure of the liquid metal is similar to the structure of its crystal lattice.
X.L. Tian, C.W. Zhan, J.X. Hou, X.C. Chen and J.J. Sun Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061, China
