Abstract In order to clarify the specific causes of Zener-type crack initiation in the material and the characteristics during the crack propagation, the Phase Field Crystal model (PFC) is used to study the mechanism in nucleation and propagation of the Zener-type crack in the sample under constant displacement loading. The nucleation of the Zener cracks at dislocations and the formation process of the disclinations are observed. The results show that the Zener crack is nucleated and initiated by applied external strain at the dislocations. As the Zener-type crack initiates, the disclinations occur. The tensile strain at the crack applied by negative disclination is favorable to Zener-type crack nucleation and propagation. The crystal columns passing through Zener-type crack is deflected at the surfaces of the crack under the action of strain, and the deflection angle in the middle of the crack is the largest. A new method for calculating the strain field of atomic lattice samples is proposed by combining the Peak-Pair algorithm (PPA) with the PFC. The nanoscopic mechanism of the nucleation, initiation and propagation of the Zener-type crack can well be revealed by this method.

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位错处齐纳型裂纹的成核和传播的纳米级研究：相场晶体模型

摘要 为了阐明材料中齐纳型裂纹萌生的具体原因和裂纹扩展过程中的特征，采用相场晶体模型（PFC）研究了材料中齐纳型裂纹的形核和扩展机制。恒位移载荷下的样品。观察了位错处齐纳裂纹的形核和向错的形成过程。结果表明，齐纳裂纹是通过在位错处施加的外部应变而成核和引发的。随着齐纳型裂纹的开始，向错发生。负向错在裂纹处施加的拉伸应变有利于齐纳型裂纹的形核和扩展。穿过齐纳型裂纹的晶柱在应变作用下在裂纹表面发生偏转，裂纹中间的偏转角最大。提出了一种将峰对算法(PPA)与PFC相结合的计算原子晶格样品应变场的新方法。该方法可以很好地揭示齐纳型裂纹的成核、萌生和扩展的纳米级机制。