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Atomistically informed continuum model for body centered cubic iron

机译:体心立方铁的原子告知连续体模型

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Plastic deformation in body centered cubic iron is dominated by glide of screw dislocations with non-planar dislocation cores. This causes a strong strain rate and temperature dependence of flow stress, the breakdown of Schmid's law and a dependence of dislocation mobility on shear stress components that do not contribute to the mechanical driving force for dislocation glide. Based on the framework of crystal plasticity, we developed a constitutive plasticity model that takes all these phenomena into account. To parameterize this continuum plasticity model molecular statics simulations using a semi-empirical potential have been performed. These atomistic calculations yielded quantitative relationships for the influence of all components of the local stress tensor on dislocation mobility. Together with experimental data from the literature on the kinetics of screw dislocations in bcc iron the constitutive relation presented here has been developed. As application example of the model, we calculated the tension compression asymmetry and the strain rate dependence of the hardening behavior within a bcc iron crystal.
机译:体心立方铁中的塑性变形主要由具有非平面位错核心的螺旋位错的滑动所主导。这会引起很大的应变率和流动应力的温度依赖性,Schmid定律的破坏以及位错迁移率对剪切应力分量的依赖性,而剪切应力分量对位错滑动的机械驱动力没有贡献。基于晶体可塑性的框架,我们开发了一个本构可塑性模型,该模型考虑了所有这些现象。为了参数化该连续性可塑性模型,已经使用半经验电势进行了分子静态模拟。这些原子计算得出了局部应力张量的所有分量对位错迁移率的影响的定量关系。连同文献中有关bcc铁中螺杆位错动力学的实验数据一起,已经开发出了本文所述的本构关系。作为模型的应用示例,我们计算了bcc铁晶体中的拉伸压缩不对称性和硬化行为的应变率依赖性。

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