To obtain more stable heterostructures and develop the assembly of different 2D materials, precisely evaluation and prediction of interface properties of vdW heterostructures is of essential importance. In the present paper, molecular dynamics simulation and theoretical analysis of the load shaft blister test (SLBT) of vdW heterostructures are conducted. The applied force-debonding radius relation, the relationship between applied force and central deflection, as well as the cohesive energy affected by geometric parameter and experimental setup on the measurement of interface properties are mainly focused. It is found that the SLBT can be well used to measure the cohesive energy of heterostructure materials, and the sample size, the pre-fabricated hole as well as low density defects have ignorable effect on the measurement of cohesive energy. What is more, materials with higher strength should be selected as the upper material to prevent damage of the upper material during loading. The results should be helpful for the measurement of cohesive energy and experimental design of vdW heterostructures at nanoscale.

为了获得更稳定的异质结构并开发不同2D材料的组装，精确评估和预测vdW异质结构的界面特性至关重要。本文对vdW异质结构的载荷轴水泡试验（SLBT）进行了分子动力学模拟和理论分析。主要研究了施加力与剥离半径的关系，施加力与中心挠度之间的关系，以及几何参数和实验装置对界面性质的测量影响的内聚能。发现SLBT可以很好地用于测量异质结构材料的内聚能，并且样品尺寸，预制孔以及低密度缺陷对内聚能的测量具有可忽略的影响。此外，应选择强度更高的材料作为鞋面材料，以防止在装载过程中损坏鞋面材料。该结果应有助于内聚能的测量和vdW异质结构的纳米级实验设计。