论文标题

Al-CU合金中降水硬化的多尺度建模:脱位动力学模拟和实验验证

Multiscale modelling of precipitation hardening in Al-Cu alloys: dislocation dynamics simulations and experimental validation

论文作者

Santos-Güemes, R., Bellón, B., Esteban-Manzanares, G., Segurado, J., Capolungo, L., LLorca, J.

论文摘要

通过离散的脱位动力学模拟,在包含$θ'$沉淀物均匀分散的Al-Cu合金中分析了位错/沉淀相互作用的机制。模拟是在离散方法的框架内进行的,假定沉淀物是通过位错不可穿透的。确定位错/沉淀相互作用的主要参数(弹性不匹配,无应力转化菌株,错位迁移率和交叉滑移速率)是从原子模拟中获得的,而从透射电子显微镜中获得了降水的大小,形状,空间分布和沉淀物的体积分数。临界解析剪切应力的预测(包括固定溶液的贡献)与通过在Al-Cu合金的微柱中获得的实验结果一致。模拟表明,由于无应力的转化菌株,溶液硬化和由于沉淀物周围的位错的弓形而引起的溶液硬化和Orowan机制提供了对合金沉淀硬化的最重要贡献。

The mechanisms of dislocation/precipitate interactions were analyzed in an Al-Cu alloy containing a homogeneous dispersion of $θ'$ precipitates by means of discrete dislocation dynamics simulations. The simulations were carried out within the framework of the discrete-continuous method and the precipitates were assumed to be impenetrable by dislocations. The main parameters that determine the dislocation/precipitate interactions (elastic mismatch, stress-free transformation strains, dislocation mobility and cross-slip rate) were obtained from atomistic simulations, while the size, shape, spatial distribution and volume fraction of the precipitates were obtained from transmission electron microscopy. The predictions of the critical resolved shear stress (including the contribution of solid solution) were in agreement with the experimental results obtained by means of compression tests in micropillars of the Al-Cu alloy oriented for single slip. The simulations revealed that the most important contribution to the precipitation hardening of the alloy was provided by the stress-free transformation strains followed by the solution hardening and the Orowan mechanism due to the bow-out of the dislocations around the precipitates.

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