利用反映原子多体相互作用的紧束缚模型及分子动力学计算机模拟技术,研究了液态金属Al的熔体结构与微观动力学行为。计算了纯金属熔体Al在不同温度下的双体分布函数,平均平方位移及速度自相关函数。模拟结果与实验结果吻合得很好,表明紧束缚模型能够描述纯铝熔体中原子间的相互作用 The melt structure and micro-kinetic behavior of Al in liquid metal have been studied by using the tight-binding model that reflects the interaction of multiple atoms in the atom and the molecular dynamics computer simulation technique. Calculate the bilayer distribution function, mean square displacement and velocity autocorrelation function of pure metal melt Al at different temperatures. The simulation results agree well with the experimental results, indicating that the tight-binding model can describe the interaction between atoms in pure aluminum melt