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首页> 外文期刊>Modelling and simulation in materials science and engineering >Deformation in amorphous-crystalline nanolaminates-an effective-temperature theory and interaction between defects
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Deformation in amorphous-crystalline nanolaminates-an effective-temperature theory and interaction between defects

机译:无定形结晶纳米胺的变形 - 一种有效的温度理论和缺陷之间的相互作用

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摘要

Experiments and atomic-scale simulations suggest that the transmission of plasticity carriers in deforming amorphous-crystalline nanolaminates is mediated by the biphase interface between the amorphous and crystalline layers. In this paper, we present a micromechanics model for these biphase nanolaminates that describes defect interactions through the amorphous-crystalline interface (ACI). The model is based on an effective-temperature framework to achieve a unified description of the slow, configurational atomic rearrangements in both phases when driven out of equilibrium. We show how the second law of thermodynamics constrains the density of defects and the rate of configurational rearrangements, and apply this framework to dislocations in crystalline solids and shear transformation zones (STZs) in amorphous materials. The effective-temperature formulation enables us to interpret the observed movement of dislocations to the ACI and the production of STZs at the interface as a 'diffusion' of configurational disorder across the material. We demonstrate favorable agreement with experimental findings reported in (Kim et al 2011 Adv. Funct. Mater. 21 4550-4), and demonstrate how the ACI acts as a sink of dislocations and a source of STZs.
机译:实验和原子尺度模拟表明,在无定形和结晶层之间的双相界面介导变形无定形结晶纳米胺的可塑性载体的透射率。在本文中,我们为这些双相纳米胺提供了一种微机械模型,其描述了通过无定形结晶界面(ACI)的缺陷相互作用。该模型基于有效温度框架,以在均衡时实现两个阶段的慢速配置原子重排的统一描述。我们展示了热力学的第二定律如何限制缺陷的密度和配置重排的速率,并将该框架应用于无定形材料中的结晶固体和剪切变换区(STZS)的位错。有效温度配方使我们能够解释观察到的脱位移动到ACI的运动,并在界面处产生STZS作为整个材料的配置障碍的“扩散”。我们展示了(Kim et al 2011 Advia offect的实验结果的有利一致。Matter。21 4550-4),并展示了ACI如何作为脱位的沉没和STZ的来源。

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