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Effects of particles size on the overall strength of nanocomposites: Molecular Dynamics simulations and theoretical modeling
Mechanics Research Communications ( IF 2.4 ) Pub Date : 2021-02-04 , DOI: 10.1016/j.mechrescom.2021.103669
Antoine Lucchetta , Stella Brach , Djimédo Kondo

We perform Molecular Dynamics simulations to investigate the strength properties of particulate reinforced nanocomposites. For a fixed reinforcement volume fraction, the effective strength increases as the inclusion size decreases. We further develop a kinematic limit analysis approach, which delivers theoretical estimates of the effective strength. The model is first assessed in the absence of size effects by comparison with data from available literature. An extension to nanocomposites is then proposed, accounting for the presence of surface stresses at the matrix/inclusion interface. Numerical data are used to calibrate the interfacial strength, which is found to be a size-dependent property.



中文翻译:

粒径对纳米复合材料整体强度的影响:分子动力学模拟和理论建模

我们进行分子动力学模拟以研究颗粒增强纳米复合材料的强度特性。对于固定的钢筋体积分数,有效强度随着夹杂物尺寸的减小而增加。我们进一步开发了一种运动学极限分析方法,它提供了有效强度的理论估计。该模型首先在不存在尺寸效应的情况下通过与现有文献中的数据进行比较来评估。然后提出了对纳米复合材料的扩展,考虑了基质/夹杂物界面处存在的表面应力。数值数据用于校准界面强度,发现界面强度与尺寸有关。

更新日期:2021-02-04
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