The Study of the Influence of Matrix, Size, Rotation Angle, and Magnetic Field on the Isothermal Entropy, and the Néel Phase Transition Temperature of Fe2O3 Nanocomposite Thin Films by the Monte-Carlo Simulation Method

Abstract

In this paper, the study of the influence of the matrix structure (mxm) of thin-film, rotation angle (α), magnetic field (B), and size (D) of Fe2O3 nanoparticle on the magnetic characteristic quantities such as the magnetization oriented z-direction (MzE), z-axis magnetization (Mz), total magnetization (Mtot), and total entropy (Stot) of Fe2O3 nanocomposites by Monte-Carlo (MC) simulation method are studied. The applied MC Metropolis code achieves stability very quickly, so that after 30 Monte Carlo steps (MCs), the change of obtained results is negligible, but for certainty, 84 MCs have been performed. The obtained results show that when the mxm and α increase, the magnetic phase transition appears with a very small increase in temperature Néel (TNtot). When B and D increase, TNtot increases very strongly. The results also show that in Fe2O3 thin films, TNtot is always smaller than with Fe2O3 nano and Fe2O3 bulk. When the nanoparticle size is increased to nearly 12 nm, then TNtot = T = 300 K, and between TNtot and D, there is a linear relationship: TNtot = −440.6 + 83D. This is a very useful result that can be applied in magnetic devices and in biomedical applications.

Modeling of Magnetic Films: A Scientific Perspective

“…Furthermore, their capacity to probe relatively large and realistic systems, which may be beyond the purview of conventional methods like quantum mechanical modeling, renders them indispensable in the investigation of magnetic films harboring a multitude of atoms or exhibiting intricate structures [ 43 ]. The intrinsic incorporation of temperature effects within Monte Carlo simulations enables an in-depth exploration of temperature-dependent phenomena, including magnetic phase transitions and thermal fluctuations [ 44 ]. This capability is pivotal for comprehensively understanding the stability and behavioral nuances of magnetic films under diverse thermal conditions, thus enriching our insights into their practical applicability [ 44 ].…”

“…The intrinsic incorporation of temperature effects within Monte Carlo simulations enables an in-depth exploration of temperature-dependent phenomena, including magnetic phase transitions and thermal fluctuations [ 44 ]. This capability is pivotal for comprehensively understanding the stability and behavioral nuances of magnetic films under diverse thermal conditions, thus enriching our insights into their practical applicability [ 44 ].…”

Exploring intermixed magnetic nanoparticles: insights from atomistic spin dynamics simulations

“…Nanoalloys, which encompass metallic particles consisting of two or more components, are the captivating subject of research in the fields of materials science and biomedicine. [1][2][3][4][5][6][7][8][9] What makes nanoalloys so intriguing is their ability to dramatically adjust their optical, catalytic, and magnetic properties. This tuning is not solely dependent on their size, as is the case with single-metal nanoparticles, but also on their composition and the various chemical arrangements they can adopt.…”

Synthesis and Characterization of Polypyrrole Film Doped with Both Molybdate and Salicylate and Its Application in the Corrosion Protection for Low Carbon Steel

“…Nowadays, metals, alloys in general and low carbon steel (LCS) in particular, are the most common material widely used in all areas of economic and social life. Metals such as Ni, 1 , 2 Fe, 3 − 5 Al, 6 , 7 and Ag; 8 alloys such as FeCoNi, 9 CuAu, 10 Fe 2 O 3 , 11 AgAu, 12 FeC, 13 AlNi, 14 AuCu, 15 NiCu, 16 − 18 and NiFe; 19 , 20 nonmetallic polymers; 21 , 22 and polymer–metals 23 have good properties such as durability, fire protection, and good electrical conductivity. When metal or nonmetallic dopants are introduced into polymers, their conductivity increases.…”

“…Nowadays, metals, alloys in general and low carbon steel (LCS) in particular, are the most common material widely used in all areas of economic and social life. Metals such as Ni, , Fe, − Al, , and Ag; alloys such as FeCoNi, CuAu, Fe 2 O 3 , AgAu, FeC, AlNi, AuCu, NiCu, − and NiFe; , nonmetallic polymers; , and polymer–metals have good properties such as durability, fire protection, and good electrical conductivity. When metal or nonmetallic dopants are introduced into polymers, their conductivity increases. − Their highest disadvantage is that they can oxidize or corrode when they are exposed to the environment as microbial corrosion in petroleum and industrial wastewater, , the biodegradation of hydrocarbons, and the methanol extract from marine algae inhibit the corrosion ability of steel in sodium chloride medium .…”