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首页> 外文期刊>Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics >Stress-controlled carbon diffusion channeling in bct-iron: A mean-field theory
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Stress-controlled carbon diffusion channeling in bct-iron: A mean-field theory

机译：BCT-Iron中应力控制的碳扩散沟槽：平均场理论

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摘要

Diffusion of interstitial carbon atoms in iron is the rate-limiting phenomenon of a number of phase transitions in body-centered (bcc) and body-centered tetragonal (bct) phases such as ferrite and martensite. These phases being rarely stress-free and undeformed, the influence of stress/strain on the diffusivity of carbon is essential, although scarcely documented. We developed a model of carbon elastodiffusion in bct-iron. We combined anisotropic linear elasticity theory of point defects, the dilute approximation of regular solutions and the multisite model of random walk into a coherent mean-field theory. The model allows predicting the effects of composition, temperature and mechanical loading on the anisotropy of carbon diffusion. Density functional theory calculations have provided most of the materials parameters. The predictions were successfully tested against kinetic Monte Carlo simulations. Our results show that compression of the crystal increases carbon diffusivity, while tension has the opposite effect. Axial straining is accompanied by a large anisotropy of diffusion. This effect could be exploited to produce stress-controlled diffusion channeling for the engineering of anisotropic microstructures during thermal ageing of martensitic Fe-C alloys. (C) 2018 Elsevier B.V. All rights reserved.
机译：间质碳原子在铁中的扩散是身体中心（BCC）和身体中心四方（BCT）阶段的多相转变的速率限制现象，例如铁素体和马氏体。这些阶段很少有压力和未变形，应力/应变对碳的扩散率的影响至关重要，尽管几乎没有记录。我们在BCT-Iron中开发了一种碳弹性区的模型。我们组合点缺陷的各向异性线性弹性理论，常规解决方案的稀释近似值和随机步行的多路径模型进入相干均值场理论。该模型允许预测组成，温度和机械负载对碳扩散各向异性的影响。密度功能理论计算提供了大部分材料参数。预测成功测试了动力学蒙特卡罗模拟。我们的结果表明，晶体的压缩增加了碳扩散率，而张力具有相反的效果。轴向应变伴随着扩散的大部分各向异性。可以利用这种效果来产生马氏体Fe-C合金热老化过程中的各向异性微观结构的工程的应力控制的扩散信道。 （c）2018年elestvier b.v.保留所有权利。

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