Abstract: Establishes 8×8×8 atomic box with LAMMPS，adopts EAM（embedded atom model）potential，to simulate large number iron atoms system. At first，heats up the system，then cool down the system under different cooling rate. Through molecular dynamics simulation，obtains energy-temperature curve，radial distribution function（RDF）and architecture. The results show that the crystallization temperature point is basically in coincident with the melting point when the cooling rate is lower than 1.8×10₁₀K/s；the product is amorphous when the cooling rate is higher than 10₁₂K/s；the degree of supercooling can reach 700 K；Fe single crystal can be prepared at cooling rate around 10₁₁K/s.

Key words: molecular dynamics simulation, rapid cooling, iron melt