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Pressure-dependent magnetic properties of FeNi alloy: Theoretical study
The influence of external pressures on the structural and magnetic properties of the FeNi
alloy is elucidated using density functional theory (DFT) and Monte Carlo simulation …
alloy is elucidated using density functional theory (DFT) and Monte Carlo simulation …
Enhancing the performance of rare-earth free permanent magnets: A computational study of nitrogen and oxygen defects in CoPt, CoFePt2, and CoNiPt2 alloys
This work presents a computational investigation utilizing density functional theory and
Monte Carlo simulations to study the influence of nitrogen and oxygen defects on the …
Monte Carlo simulations to study the influence of nitrogen and oxygen defects on the …
Magnetism and magnetic properties of 3d transition metal monolayer on Pd (1 0 0)
First-principles calculations based on density functional theory (DFT) are utilized to examine
the effect of 3d transition metal (TM) monolayer on the Pd (0 0 1) substrate. Four transition …
the effect of 3d transition metal (TM) monolayer on the Pd (0 0 1) substrate. Four transition …
A Computational exploration of the electronic, mechanical, and magnetic properties of Co2A1− xBxAl full heusler alloys (A, B= Cr, Mn, and Fe)
An investigation of the structural, mechanical, electronic, magnetic, and thermomagnetic
properties of Co 2 A 1− x B x Al full Heusler alloys (where A, B= Cr, Mn, and Fe, and x …
properties of Co 2 A 1− x B x Al full Heusler alloys (where A, B= Cr, Mn, and Fe, and x …
Influence of substitutional defects on the structural and magnetic properties of barium hexaferrites
A computational analysis is conducted to understand the impact of Al and Sr substitutions on
the structural and magnetic properties of M-type barium hexaferrite (BaFe 12 O 19 or BFO) …
the structural and magnetic properties of M-type barium hexaferrite (BaFe 12 O 19 or BFO) …
Computational exploration of pd-based heusler alloys for permanent magnets: density functional theory and high-throughput methods
In this work, we have explored the potential of a relatively new class of Pd-based Heusler
alloys as permanent magnets. Our approach began with a high-throughput study using the …
alloys as permanent magnets. Our approach began with a high-throughput study using the …
Influence of structural modifications on mechanical and magnetic properties of Co2FeGa full Heusler alloys: A comparative study on L21 and XA structures
In this study we are investigating the effect of pressure and tetragonal distortion of Co 2
FeGa full Heusler compound in L2 1 and XA structures on the elastic, magnetic and …
FeGa full Heusler compound in L2 1 and XA structures on the elastic, magnetic and …
Comprehensive computational insights into the properties of Ni-based quaternary heusler alloys
This study presents a detailed computational exploration of the structural, electronic, and
magnetic properties of novel Ni-based quaternary Heusler alloys using density functional …
magnetic properties of novel Ni-based quaternary Heusler alloys using density functional …
Exploring the thermomagnetic behavior of Co2TiZ (Z= Al, Si, Ga, Ge, and Sn) alloys: a computational study
A comprehensive computational exploration of the structural and thermomagnetic properties
of Co 2 TiZ (Z= Al, Si, Ga, Ge, and Sn) Heusler alloys are conducted utilizing both density …
of Co 2 TiZ (Z= Al, Si, Ga, Ge, and Sn) Heusler alloys are conducted utilizing both density …
First-principles study of stability, order and disorder based on an entropy descriptor in noble and ferromagnetic transition metal alloys
JR Eone II, MTO Abe, JMB Ndjaka - Computational Materials Science, 2024 - Elsevier
Binary alloys AB composed of ferromagnetic metals A (Fe, Co, Ni) and the late 4 d− 5 d
noble metals B (Rh, Pd, Ag, Ir, Pt, Au) have been investigated using density functional theory …
noble metals B (Rh, Pd, Ag, Ir, Pt, Au) have been investigated using density functional theory …