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Nonplanar core structure of 1/2<111> screw dislocations: An anisotropic Peierls-Nabarro model

机译：非平面核结构1/2 <111>螺旋脱臼：一个各向异性PEIerls-Nabarro模型

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摘要

The nonplanar core of the 1/2 111 screw dislocation for body-centered cubic metals (groups VB, VIB metals and Fe) has been studied in the framework of the Peierls-Nabarro model, with special interest focused on the effect of crystal anisotropy. By the dislocation interaction model based on the anisotropic elasticity theory, the improved Peierls-Nabarro (P-N) model for nonplanar dislocation core structures is obtained from the variational principle. Full gamma-surfaces of the {110} plane and elastic properties employed in this anisotropic P-N model are all achieved by density functional theory (DFT) calculations. The dislocation core structure and its associated dislocation deformation fields can be solved when taking the anisotropy of BCC crystals into account. It is found that with the anisotropic elasticity considered, the proposed nondegenerate nonplanar structure has the lowest energy state, compared to those for both planar and degenerate core structures. The effect of crystalline anisotropy on the nondegenerate core energy cannot be ignored in Cr, Fe, V and Nb. Furthermore, considering the crystal anisotropy, the Burgers vector distribution, the dislocation core energy state and the stress field are clearly distinguished from results predicted by the isotropic model. The crystal anisotropy plays an important role in long-range dislocations stress field especially in Nb and V. The effect of anisotropic elasticity on both long-range and short-range interactions between dislocations for above BCC materials cannot be ignored. The present results can help to build a deeper understanding on the combined effect of the anisotropic elasticity and nonplanar core structures on the dislocation properties.
机译：1/2＆的非平面核心。 111＆在Peierls-nabarro模型的框架中研究了身体中心立方金属（组VB，VIB金属和Fe）的螺旋脱位，具有专注于晶体各向异性的影响。通过基于各向异性弹性理论的脱位相互作用模型，从变分原理获得非平面位错核结构的改进的PEIerls-nabarro（P-N）模型。 {110}平面的全γ-表面和在该各向异性P-N模型中使用的弹性性质全部通过密度泛函理论（DFT）计算来实现。在考虑到BCC晶体的各向异性时，可以解决脱位核心结构及其相关的位错变形场。发现，通过考虑各向异性弹性，与平面和退化核心结构的那些相比，所提出的非预应性非平面结构具有最低能量状态。在Cr，Fe，V和Nb中，不能忽略结晶各向异性对非核核心能的影响。此外，考虑到晶体各向异性，汉堡载体分布，错位核心能量状态和应力场清楚地区分根据各向同性模型预测的结果。晶体各向异性在长距离位移应力场中起重要作用，特别是在Nb和V中。无法忽略对BCC材料的超脱位之间的远程和短距离相互作用的各向异性弹性的影响不能忽视。目前的结果可以帮助对各向异性弹性和非平面核心结构对脱位特性的综合作用进行更深的了解。

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  • 来源
    《Mechanics of materials》 |2021年第5期|103794.1-103794.19|共19页
  • 作者

    Hu Xiangsheng; Huang Minsheng; Li Zhenhuan;

  • 作者单位

    Huazhong Univ Sci & Technol Dept Mech Sch Aerosp Engn Wuhan 430074 Peoples R China;

    Huazhong Univ Sci & Technol Dept Mech Sch Aerosp Engn Wuhan 430074 Peoples R China|Hubei Key Lab Engn Struct Anal & Safety Assessmen Wuhan 430074 Peoples R China;

    Huazhong Univ Sci & Technol Dept Mech Sch Aerosp Engn Wuhan 430074 Peoples R China|Hubei Key Lab Engn Struct Anal & Safety Assessmen Wuhan 430074 Peoples R China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Nonplanar dislocation; Peierls-Nabarro theory; Anisotropic elasticity; Burgers vector distribution; Stress field;

    机译：nonplanar脱位;peierls-nabarro理论;各向异性弹性;汉堡矢量分布;压力场;

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