镍基双晶中 S5 (210) [001] 对称倾斜晶界的多元素偏析强化与掺杂软化

IF 9.4 1区材料科学 Q1 ENGINEERING, MECHANICAL

International Journal of Plasticity Pub Date : 2025-02-01 DOI:10.1016/j.ijplas.2024.104219

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

{"title":"镍基双晶中 S5 (210) [001] 对称倾斜晶界的多元素偏析强化与掺杂软化","authors":"Hao Hu , Tao Fu , Shiyi Wang , Chuanying Li , Shayuan Weng , Deqiang Yin , Xianghe Peng","doi":"10.1016/j.ijplas.2024.104219","DOIUrl":null,"url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"185 ","pages":"Article 104219"},"PeriodicalIF":9.4000,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Multi-element segregation strengthening and doping softening of Σ5 (210) [001] symmetrically tilted grain boundary in Ni-based bicrystal\",\"authors\":\"Hao Hu , Tao Fu , Shiyi Wang , Chuanying Li , Shayuan Weng , Deqiang Yin , Xianghe Peng\",\"doi\":\"10.1016/j.ijplas.2024.104219\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>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.</div></div>\",\"PeriodicalId\":340,\"journal\":{\"name\":\"International Journal of Plasticity\",\"volume\":\"185 \",\"pages\":\"Article 104219\"},\"PeriodicalIF\":9.4000,\"publicationDate\":\"2025-02-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Plasticity\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0749641924003462\",\"RegionNum\":1,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENGINEERING, MECHANICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Plasticity","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0749641924003462","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, MECHANICAL","Score":null,"Total":0}

引用次数: 0

摘要

合金化是一种经济有效的提高材料热稳定性和机械稳定性的策略，也可以应用于纳米晶材料的晶界，以改善其力学性能。在这项工作中，我们使用分子动力学（MD）模拟和蒙特卡罗（MC）计算，研究了掺杂/不掺杂双晶Ni样品的力学性能和塑性变形，以及多元素（ME）原子（包括Co， Cr， Fe和Mn原子）的偏析。每个样本包含一个Σ5(210)[001]对称倾斜GB。发现ME掺杂导致GB部分迁移和软化，而ME偏析阻碍GB迁移，导致强化。软化和强化分别源于ME原子在非重合点阵（non-CSL）和重合点阵（CSL）中的分布。此外，温度通过ME原子在GB中的相容性影响了ME掺杂和ME分离样品中GB的迁移。研究结果有助于在原子尺度上理解ME掺杂和偏析引起的强化和软化机制，并为强度和延性之间的平衡提供了一个视角。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Multi-element segregation strengthening and doping softening of Σ5 (210) [001] symmetrically tilted grain boundary in Ni-based bicrystal

查看原文本刊更多论文

Multi-element segregation strengthening and doping softening of Σ5 (210) [001] symmetrically tilted grain boundary in Ni-based bicrystal

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.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

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.