Velilla-Díaz Wilmer, Zambrano Habib R
Departamento de Ingeniería Mecánica, Universidad Autónoma del Caribe, Barranquilla 080020, Colombia.
Instituto de Diseño y Métodos Industriales, Universidad Austral de Chile, Valdivia 5110566, Chile.
Nanomaterials (Basel). 2021 Oct 21;11(11):2783. doi: 10.3390/nano11112783.
Molecular dynamics simulations of cracked nanocrystals of aluminum were performed in order to investigate the crack length and grain boundary effects. Atomistic models of single-crystals and bi-crystals were built considering 11 different crack lengths. Novel approaches based on fracture mechanics concepts were proposed to predict the crack length effect on single-crystals and bi-crystals. The results showed that the effect of the grain boundary on the fracture resistance was beneficial increasing the fracture toughness almost four times for bi-crystals.
为了研究裂纹长度和晶界效应,对铝的裂纹纳米晶体进行了分子动力学模拟。考虑了11种不同的裂纹长度,建立了单晶和双晶的原子模型。提出了基于断裂力学概念的新方法来预测裂纹长度对单晶和双晶的影响。结果表明,晶界对抗断裂性的影响是有益的,双晶的断裂韧性提高了近四倍。