Multi-element Segregation Strengthening and Doping Softening of S5 (210) [001] Symmetrically Tilted Grain Boundary in Ni-based Bicrystal

IF 9.4 1区材料科学 Q1 ENGINEERING, MECHANICAL

International Journal of Plasticity Pub Date : 2024-12-20 DOI:10.1016/j.ijplas.2024.104219

Hao Hu, Tao Fu, Shiyi Wang, Chuanying Li, Shayuan Weng, Deqiang Yin, Xianghe Peng

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Abstract

Alloying is an economically efficient strategy to improve the thermal and mechanical stability of materials, which can also be applied to grain boundary (GB) in nanocrystalline materials to improve their mechanical properties. In this work, we investigated the mechanical properties and plastic deformation of bicrystal Ni samples with/without doping and segregation of multi-element (ME) atoms (including Co, Cr, Fe, and Mn atoms) using molecular dynamics (MD) simulations and Monte Carlo (MC) calculations at various temperatures. Each sample contains a Σ5 (210) [001] symmetric tilted GB. It was found that ME doping results in partial GB migration and softening, while ME segregation hinders GB migration, leading to strengthening. The softening and strengthening stem respectively from the distribution of ME atoms in the non-coincident site lattice (non-CSL) and in the coincident site lattice (CSL) sites. Furthermore, temperature affects the GB migration in ME-doped and ME-segregated samples through the compatibility of the ME atoms in GB. The results presented may contribute to understanding the mechanisms of strengthening and softening caused by ME doping and segregation at the atomic scale, and provide a perspective on the balance between strength and ductility.

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来源期刊

International Journal of Plasticity 工程技术-材料科学：综合

CiteScore

15.30

自引率

26.50%

发文量

256

审稿时长

46 days

期刊介绍： International Journal of Plasticity aims to present original research encompassing all facets of plastic deformation, damage, and fracture behavior in both isotropic and anisotropic solids. This includes exploring the thermodynamics of plasticity and fracture, continuum theory, and macroscopic as well as microscopic phenomena. Topics of interest span the plastic behavior of single crystals and polycrystalline metals, ceramics, rocks, soils, composites, nanocrystalline and microelectronics materials, shape memory alloys, ferroelectric ceramics, thin films, and polymers. Additionally, the journal covers plasticity aspects of failure and fracture mechanics. Contributions involving significant experimental, numerical, or theoretical advancements that enhance the understanding of the plastic behavior of solids are particularly valued. Papers addressing the modeling of finite nonlinear elastic deformation, bearing similarities to the modeling of plastic deformation, are also welcomed.