Synthesis and Characterization of Nanostructured (Fe80Ni20)1-xCrx(x= 0, 4) Alloys Using Mechanical Alloying and Density Functional Theory

Dehghaniyan, Seyed Farzad; Sharafi, Shahriar

doi:10.22068/ijmse.3433

Volume 21, Issue 2 (June 2024) IJMSE 2024, 21(2): 1-12 | Back to browse issues page

‎ 10.22068/ijmse.3433

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Dehghaniyan S F, Sharafi S. Synthesis and Characterization of Nanostructured (Fe80Ni20)1-xCrx(x= 0, 4) Alloys Using Mechanical Alloying and Density Functional Theory. IJMSE 2024; 21 (2) :1-12
URL: http://ijmse.iust.ac.ir/article-1-3433-en.html

Synthesis and Characterization of Nanostructured (Fe80Ni20)1-xCrx(x= 0, 4) Alloys Using Mechanical Alloying and Density Functional Theory

Seyed Farzad Dehghaniyan

, Shahriar Sharafi

Abstract: (2450 Views)

Mechanical alloying was employed to synthesize a nanostructured alloy with the chemical formula of (Fe₈₀Ni₂₀)_1-xCr_x (x= 0, 4). The microstructural and magnetic properties of the samples were investigated using scanning electron microscopy (SEM), X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDS), and a vibrating sample magnetometer (VSM). Additionally, theoretical calculations were performed using density functional theory (DFT) under the generalized gradient approximation (GGA). Simulations have demonstrated that an appropriate quantity of chromium (Cr) can dissolve within the BCC-Fe (Ni) structure, resulting in a favorable enhancement of the magnetic moment of the lattice. The XRD results indicated that after 96 hours of milling, Fe (Ni) and Fe (Ni, Cr) with a body-centered cubic (BCC) structure were formed. With increasing milling time, the grain size decreased while the microstrain increased. The saturation magnetization (Ms) of Fe₈₀Ni₂₀ composition increased up to 32 hours of milling, but further milling (up to 96 h) resulted in a decrease in the saturation magnetization However, for the (Fe₈₀Ni₂₀)₉₆Cr₄ powders, milling up to 64 h caused a reduction in Ms. The coercivity (Hc) trend was different and increased with longer milling times (up to 96 h) for both compositions.

Keywords: Mechanical alloying, saturation magnetization, nanostructured alloy, density functional theory