论文部分内容阅读
以Au3Cu-亚格子系统为例,介绍了3项发现:第一,至今阻碍金属材料科学进步的第四大障碍是研究者们尚未认识到一个真正的合金相Gibbs能函数应由合金基因序列和它们自己的Gibbs能级序列构建的Gibbs能配分函数导出。第二,建立合金基因Gibbs能配分函数的六条规则,特别证明了计算合金组态熵的简并因子中结构单元占居Gibbs能级的概率应按照组元占居格点的概率方式简并;第三,以前研究者从未预料到的主要特征:具有一条没有有序相和无序相共存区的单相相界线;相界线顶点成分和温度远偏离Au3Cu化合物临界点的成分和温度;在0 K时,Gibbs能随成分变化曲线上的最低点成分远偏离Au3Cu化合物的成分;Au3Cu-型长程有序合金的理论极限成分范围由第一跳变有序度决定。
Taking the Au3Cu-subgrid system as an example, we present three findings: First, the fourth major obstacle that hinders the advancement of metal science so far is that researchers have not yet realized that a true Gibbs energy function of the alloy phase should consist of the alloy gene sequence and The Gibbs energy partition functions derived from their own Gibbs energy level sequences were derived. Second, the establishment of six rules for the Gibbs energy allocation function of alloy genes, in particular, proves that the probability of occupying Gibbs energy levels in the degeneracy factor of the alloy configuration entropy should be degenerated in a probabilistic manner according to the occupancy points of the components; Third, the main features that have not been predicted before by researchers: a single-phase boundary without coexistence of ordered and disordered phases; the composition and temperature at which the boundary components of the phase boundary and temperature far away from the critical point of the Au3Cu compound; At 0 K, Gibbs can deviate far away from the composition of the Au3 Cu compound with the lowest point component of the composition curve. The theoretical limit composition range of the Au3 Cu-type long range ordered alloy is determined by the order of the first transition.