A low copper content alloy Al(1-x)Cux, x≤0.1: A joint computational and experimental study

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER Physica B-condensed Matter Pub Date : 2024-11-14 DOI:10.1016/j.physb.2024.416741

M.A. Frolov , E.M. Dvoryanova , A.F. Krutov , V.E. Pavlova , A.V. Burchakov , V.A. Novikov , O.A. Blatova , A.V. Sokolov , A.P. Zentsov , V. Yu Sorokin , A.N. Gataullin , S.S. Petrov , M.O. Kudryashova , A.A. Kabanov , V.A. Blatov

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Abstract

Atomistic simulation of Al_1-xCu_x (x ≤ 0.1) alloy is performed and the mechanical properties are calculated within the framework of the density functional theory (DFT) by using of the virtual crystal approximation (VCA). The elastic matrix is calculated within the DFT using the CASTEP code and the dependences of Young's, shear and bulk moduli, Vickers hardness, Poisson's ratio, plasticity coefficient and anisotropy indices on the amount of copper are obtained. Al_0.9Cu_0.1 alloy was synthesized by spark plasma sintering (SPS) method. As a result, the aluminum and intermetallic CuAl₂ phases were identified in the obtained sample by X-ray diffraction patterns. The microstructure (SEM) and Vickers microhardness of the sample were studied. The results of the work compensate for the lack of data for the Al-Cu alloys with a low copper content.

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低铜含量合金 Al(1-x)Cux，x≤0.1：计算与实验联合研究

对 Al1-xCux（x ≤ 0.1）合金进行了原子模拟，并在密度泛函理论（DFT）框架内利用虚拟晶体近似（VCA）计算了其机械性能。在 DFT 框架内使用 CASTEP 代码计算了弹性基体，并得出了杨氏模量、剪切模量和体积模量、维氏硬度、泊松比、塑性系数和各向异性指数与铜含量的关系。Al0.9Cu0.1 合金是通过火花等离子烧结（SPS）法合成的。结果，通过 X 射线衍射图样确定了所得样品中的铝相和金属间的 CuAl2 相。研究了样品的微观结构（SEM）和维氏显微硬度。这项工作的结果弥补了铜含量较低的铝铜合金数据的不足。

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来源期刊

Physica B-condensed Matter 物理-物理：凝聚态物理

CiteScore

4.90

自引率

7.10%

发文量

703

审稿时长

44 days

期刊介绍： Physica B: Condensed Matter comprises all condensed matter and material physics that involve theoretical, computational and experimental work. Papers should contain further developments and a proper discussion on the physics of experimental or theoretical results in one of the following areas: -Magnetism -Materials physics -Nanostructures and nanomaterials -Optics and optical materials -Quantum materials -Semiconductors -Strongly correlated systems -Superconductivity -Surfaces and interfaces