在极细纳米晶金属中维持晶界偏析诱导的强化效应

IF 9.1 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Letters Pub Date : 2025-03-23 DOI:10.1021/acs.nanolett.5c0103210.1021/acs.nanolett.5c01032

Lei Qian, Jiacheng Zhang, Wenqing Yang, Yunjiang Wang, Kangcheung Chan and Xu-Sheng Yang*,

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引用次数: 0

摘要

通过溶质偏析强化晶界是一种很有前途的强化纳米金属的策略。然而，由于过度偏析导致晶粒尺寸减小和晶界结构改变，在极细的纳米金属中保持强化存在挑战。本研究采用蒙特卡罗/分子动力学混合模拟研究了溶质浓度、晶界结构、变形机制和强度之间的相互作用。结果表明，优化偏析可以显著增强材料的强度，并将强化效果扩展到小至3.75 nm的晶粒尺寸。连续的Zr偏析导致晶界从原始晶界逐渐向偏析晶界过渡，最终形成非晶界。非晶化改变了晶界迁移的主要变形机制，使其向均匀剪切变形区激活转变，促进并优化了极细纳米晶Cu的强化效果。这些发现激发了偏析诱导晶界非晶化的新方法，利用强晶界和极细的纳米颗粒来增强纳米颗粒金属。

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Maintaining Grain Boundary Segregation-Induced Strengthening Effect in Extremely Fine Nanograined Metals

Reinforcing grain boundaries through solute segregation is a promising strategy to strengthen nanograined metals. However, maintaining strengthening in extremely fine nanograined metals poses challenges due to grain size reduction and grain boundary structural changes from excessive segregation. This study employs hybrid Monte Carlo/Molecular Dynamics simulations to investigate the interplay between solute concentration, grain boundary structure, deformation mechanism, and strength in Zr-segregated nanograined Cu. Results exhibit significant strength enhancement by optimizing segregation, extending the strengthening effect to a grain size as small as 3.75 nm. Continuous Zr segregation induces a progressive transition from original grain boundaries to segregated and ultimately amorphous grain boundaries. Amorphization alters the dominant deformation mechanism from grain boundary migration to homogeneous shear-transformation-zone activation, fostering and optimizing the strengthening effect in extremely fine nanograined Cu. These findings inspire a novel approach of segregation-induced grain boundary amorphization to leverage strong boundaries and extremely fine nanograins for strengthening nanograined metals.

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来源期刊

Nano Letters 工程技术-材料科学：综合

CiteScore

16.80

自引率

2.80%

发文量

1182

审稿时长

1.4 months

期刊介绍： Nano Letters serves as a dynamic platform for promptly disseminating original results in fundamental, applied, and emerging research across all facets of nanoscience and nanotechnology. A pivotal criterion for inclusion within Nano Letters is the convergence of at least two different areas or disciplines, ensuring a rich interdisciplinary scope. The journal is dedicated to fostering exploration in diverse areas, including: - Experimental and theoretical findings on physical, chemical, and biological phenomena at the nanoscale - Synthesis, characterization, and processing of organic, inorganic, polymer, and hybrid nanomaterials through physical, chemical, and biological methodologies - Modeling and simulation of synthetic, assembly, and interaction processes - Realization of integrated nanostructures and nano-engineered devices exhibiting advanced performance - Applications of nanoscale materials in living and environmental systems Nano Letters is committed to advancing and showcasing groundbreaking research that intersects various domains, fostering innovation and collaboration in the ever-evolving field of nanoscience and nanotechnology.