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本文利用余瑞璜的固体与分子经验电子理论计算了3gCrSi、9Crsi、12CrNi3、18Cr_2Ni_4W钢奥氏体的价电子结构。从扩散与偏聚两方面讨论了原子状态-原子键力、结构、形态与性能之间的关系。并提出三个观点。 1.Fe—C—Cr—Si(Ni、W)合金奥氏体中存在着C—Me偏聚。偏聚力的大小可用C—Me共价键上的共用电子对数表示,偏聚的动力来源于C—Me间的价电子结构; 2.C—Me偏聚对相变有阻力。这种阻力和相变驱动力交互作用可改变贝氏体的典型结构和形态; 3.C—Me偏聚导致的奥氏体陈留分割细化了原奥氏体晶粒,使后生成相的有效尺寸减小;奥氏体呈角状、叉状增加了裂纹扩展的路径,这是上述合金贝氏体韧性较好的原因之一。
In this paper, the valence electron structures of austenite of 3gCrSi, 9Crsi, 12CrNi3 and 18Cr_2Ni_4W steel were calculated by using the solid and molecular empirical electron theory of Yu Ruihuang. From the aspects of diffusion and segregation, we discuss the relationship between atomic state - atomic bond force, structure, morphology and properties. And put forward three views. 1. C-Me segregation exists in austenite of Fe-C-Cr-Si (Ni, W) alloy. The size of the cohesion can be expressed by the common electron logarithm on the C-Me covalent bond, the motive force of segregation comes from the valence electron structure between C-Me; 2.C-Me segregation has resistance to phase transformation. The interaction of resistance and phase change driving force can change the typical structure and morphology of bainite.3. The segregation of austenite caused by C-Me segregation refine the original austenite grains and make the post-formed phase The effective size decreases; austenite angular, fork-like increases the crack propagation path, which is one of the reasons for the alloy bainite toughness better.