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Atomic-scale study of nucleation of dislocations from fcc-bcc interfaces

机译:fcc-bcc界面位错成核的原子尺度研究

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摘要

Using atomistic simulations, we reveal the role of the atomic interface structure on the nucleation of glissile dislocations from a low-energy, atomically flat, incoherent face-centered cubic-body-centered cubic interface with a Kurdjumov-Sachs orientation relationship. Several loading states are simulated to systematically probe the selection of slip systems. Contrary to conventional expectation, the preferred nucleation sites are not always associated with pre-existing misfit dislocations, and the preferred slip systems are not determined solely by the Schmid factor. Amongst the two or more systems that may be geometrically favored, the activated slip system depends on the structure of the nucleation site. The system-site combination is such that the dislocation deposited in the interface after the nucleation event lowers the interfacial energy and has a relatively low self-energy. The fundamental correlations established here apply to interfaces of other orientation relationships that are also flat and have spatially non-uniform shear resistance.
机译:利用原子模拟,我们揭示了原子界面结构在具有Kurdjumov-Sachs取向关系的低能量、原子平坦、不相干的面心立方体-以立方体为中心的立方界面的滑翔位错成核中的作用。模拟了几种加载状态,以系统地探测滑移系统的选择。与传统预期相反,首选的成核位点并不总是与预先存在的错拟位错相关,并且首选的滑移系统不仅仅由施密德因子决定。在两个或多个可能在几何上受到青睐的系统中,活化滑移系统取决于成核位点的结构。系统-位点组合使得成核事件后沉积在界面中的位错降低了界面能量,并且具有相对较低的自能。这里建立的基本相关性适用于其他取向关系的界面,这些界面也是平坦的,并且具有空间上不均匀的剪切阻力。

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