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电子理论自提出以来,已经经历了百年的发展与演变,其理论体系呈现多样化发展趋势,极大地促进了材料科学的发展,为新型材料的研发提供了理论支持。密度泛函理论是由Kohn提出的一种量子理论表述方式,通过粒子密度来描述体系基态的物理性质,在电性材料、磁性材料、光学材料以及电子化学材料的研发上具有积极作用。而余氏理论、程氏理论都是一种在密度泛函理论上改造而来的电子理论体系,其中余氏理论在钢铁材料、Ti-Al合金、Al-X合金等的研发制造中得到了广泛的应用,程氏理论在材料断裂机理等材料科学研究中得到了广泛的应用。
Since its introduction, electronic theory has undergone a hundred years of development and evolution. Its theoretical system has shown a variety of development trends, which greatly promoted the development of materials science and provided theoretical support for the research and development of new materials. Density functional theory is a kind of quantum theory expression mode proposed by Kohn. It describes the physical properties of the ground state by particle density and plays an active role in the research and development of electrical materials, magnetic materials, optical materials and electronic chemical materials. And Yu’s theory, Cheng’s theory is a kind of electron theory system transformed from density functional theory, in which Yu’s theory in the steel material, Ti-Al alloy, Al-X alloy and other R & D and manufacturing have been A wide range of applications, Cheng’s theory in the material fracture mechanism and other materials science has been widely used.