Using the Embedding Atom Method (EAM) for highly undercooled Ni 3 Al alloy, the melting point and the specific heat were studied by a molecular dynamics simulation. 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 attributed 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 Ni 3 Al alloy weakly and linearly increases with the increase of undercooling in the temperature range from 800 K to 2000 K.Ni 3 Al alloy, undercooled, melting point, specific heatThe rapid solidification process with low cooling rate can be obtained by using high undercooling conditions, which overcomes the limit of heat transfer during the quenching and is an effective manner to carry out the rapid solidification of bulk melts. The quantitative investigation of the rapid solidification under high undercooling requires enough accurate thermodynamic data of undercooled melts, whereas they are often lacking in handbook [1] . To date, the experimental measurements of thermodynamic properties of undercooled metal are performed by various levitation technologies such as electromagnetic levitation and acoustic levitation [2,3] . These containerless processing methods can effectively avoid the heterogeneous nucleation induced by the container wall and are in favor of large undercooling. Due to the high cost of experimental measurements, however, these studies focus on a few metal and alloy systems, and correspondingly the thermodynamic data are limited. The molecular dynamics simulation can easily produce the underooling state of metal and a potential method to study the thermodynamic properties of metastable metals, and permits to further detect the intrinsic correlation between the thermodynamic property and the microstructure at a molecular level [4,5] . As a basic thermodynamic parameter, the melting point is beneficial for revealing the phase choice during the solidification and determining the undercooling. The specific heat plays an im-