Bloch定理与散射平面波的干涉

从波动学的角度分析空晶格模型中的自由电子在周期性晶体势微扰作用下转变为晶体中Bloch电子的过程,揭示出了这一过程的物理实质,结果表明,在晶体势微扰作用下,代表空晶格模型中自由电子定态波函数的行进平面波在晶体内各点处产生了各种许可波矢的散射平面波,Bloch定理是晶体微观结构的平移对称性（即周期性）使得这些散射平面波产生干涉的结果。     

Construction of embedded-atom-method interatomic potentials for alkaline metals （Li,Na,and K） by lattice inversion

The lattice-inversion embedded-atom-method interatomic potential developed previously by us is extended to alkaline metals including Li,Na,and K.It is found that considering interatomic interactions between neighboring atoms of an appropriate distance is a matter of great significance in constructing accurate embedded-atom-method interatomic potentials,especially for the prediction of surface energy.The lattice-inversion embedded-atom-method interatomic potentials for Li,Na,and K are successfully constructed by taking the fourth-neighbor atoms into consideration.These angular-independent potentials markedly promote the accuracy of predicted surface energies,which agree well with experimental results.In addition,the predicted structural stability,elastic constants,formation and migration energies of vacancy,and activation energy of vacancy diffusion are in good agreement with available experimental data and first-principles calculations,and the equilibrium condition is satisfied.     

Molecular dynamics simulation of surface melting behaviours of the V（110） plane

The modified analytic embedded-atom method and molecular dynamics simulations are applied to the investigation of the surface premelting and melting behaviours of the V（110） plane by calculating the interlayer relaxation, the layer structure factor and atomic snapshots in this paper. The results obtained indicate that the premelting phenomenon occurs on the V（110） surface at about 1800K and then a liquid-like layer, which approximately keeps the same thickness up to 2020K, emerges on it. We discover that the temperature 2020K the V（110） surface starts to melt and is in a completely disordered state at the temperature of 2140K under the melting point for the bulk vanadium.     

论工科大学物理概念结构体系的现代化

阐明传统工科大学物理的内容结构体系改革的必要性,指出改革的重点是实验概念结构体系的现代化,并提出了一种现代化的概念结构体系模式,根据这一模式编写了《新编大学物理学》,在教学过程中取得了良好效果。