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Abstract FeRh-based alloys have attracted significant attention due to their magnetic phase transition and significant magnetocaloric effects. These properties position them as promising candidates for fundamental research and practical applications, including magnetic cooling and targeted drug delivery. The study of FeRh alloys, particularly those where Rhodium or Iron atoms are substituted with other transition metals, is crucial as certain substitutions preserve the alloy’s magnetocaloric properties. However, even within a specific structural type and without considering competing phases, determining which atom (Fe or Rh) is replaced upon introducing a third element remains unclear. This paper addresses this ambiguity through ab initio calculations. We propose an approach to predict whether a dopant will replace Fe or Rh, offering insights into the electronic and structural factors influencing the substitution. Additionally, we present a dataset of ab initio calculations on doped FeRh alloys, which will support future data-driven modeling efforts. Our findings not only advance the understanding of FeRh-based alloys but also contribute to the design of novel materials for experimental and industrial applications.

The results of studying the problem of active sediment formation when mixing residual fuels, caused by manifestation of incompatibility, are presented. A laboratory method has been developed for determining the compatibility and stability of fuels allowing identification of a quantitative characteristic of sediment formation activity. Laboratory studies were performed, and incompatible fuel components were identified. Tests were made to determine the quality indicators of samples and group individual composition of fuels. Results on the content of total and inorganic carbon in the obtained sediments were determined using Shimadzu TOC-V SSM 5000A. Chemical composition was determined and calculated on LECO CHN-628 analyser. Group composition of hydrocarbon fuels contained in the sediment was studied by gas chromato-mass spectrometry on GCMS-QP2010 Ultra Shimadzu. To obtain additional information on the structural group composition of fuel sediment, IR spectrometry was performed on IR-Fourier spectrometer IRAffinity-1. X-ray diffraction analysis of sediment samples was made using X-ray diffractometer XRD-7000 Shimadzu; interplanar distances d002 and d100 as well as Lс and Lа crystallite sizes served as the evaluation criteria. Microstructural analysis of total sediment was performed by scanning electron microscopy. The results of the research confirmed that the content of normal alkanes in the fuel mixture mainly affects sediment formation. Recommendations were drawn on preserving the quality of fuels and reducing sediment formation during storage and transportation.

Among the medical applications of the magnetocaloric effect (MCE) a technology of targeted drug delivery (TDD) is of great interest. The remote, noninvasive drug delivery to human organs or tissues is one of the actual challenges at present. Delivery devices, which provide a controlled, reproducible and reliable drug release, can have a significant impact on the treatment of different diseases. An ideal device for the fast drug delivery should contain a great amount of medication, should not practically release the drug in the off state, be able to repeatedly switch to the on state without mechanical damage, not require the implanted electronics, and be able to release a controlled dose of drug as stated in the physician’s prescription.This paper describes a composite material to coat implants and other drug carriers, which enables to control the quantity and the period of medication release. The paper also offers the results of thermodynamic model’s analysis of these medical devices based on the properties of ‘polymer/magnetic material’ composite systems. The results of magnetic and nonmagnetic nanoparticles deposition on the fragments of abdominal meshes are also presented.

Magnetic oxides are promising materials for alternative health diagnoses and treatments. The aim of this work is to understand the dependence of the heating power with the nanoparticle (NP) mean size, for the manganite composition La0.75Sr0.25MnO3 (LSMO)—the one with maximum critical temperature for the whole La/Sr ratio of the series. We have prepared four different samples, each one annealed at different temperatures, in order to produce different mean NP sizes, ranging from 26 nm up to 106 nm. Magnetization measurements revealed a FC-ZFC irreversibility and from the coercive field as function of temperature we determined the blocking temperature. A phase diagram was delivered as a function of the NP mean size and, based on this, the heating mechanism understood. Small NPs (26 nm) is heated up within the paramagnetic range of temperature (T>Tc), and therefore provide low heating efficiency; while bigger NPs are heated up, from room temperature, within the magnetically blocked range of temperature (TT>TB), for intermediate mean diameter size of 37 nm, with maximum efficiency of heat transfer.

Rare earth metals (REM) occupy a special and important place in our lives. This became especially noticeable during the rapid development of industry in the industrial era of the twentieth century. The tendency of development of the rare-earth metals market certainly remains in the XXI century. According to experts estimates the industry demand for chemical compounds based on them will tend to grow during the nearest years until it reaches the market balance. At the same time, the practical use of high-purity rare-earth metals requires the most accurate understanding of the physical properties of metals, especially magnetic ones. Despite a certain decline in interest in the study of high-purity REM single crystals during the last decade, a number of scientific groups (Ames Lab, Lomonosov Moscow State University (MSU), Baikov Institute of Metallurgy and Materials Science Russian Academy of Science (RAS)) are still conducting high-purity studies on high-purity metal samples. The present article is a combination of a review work covering the analysis of the main works devoted to the study of heavy REMs from gadolinium to thulium, as well as original results obtained at MSU. The paper considers the electronic properties of metals in terms of calculating the density of states, analyzes the regularities of the magnetic phase diagrams of metals, gives the original dependences of the Neel temperature and tricritical temperatures for Gd, Tb, Dy, Er, Ho, Tm, and also introduces a phenomenological parameter that would serve as an indicator of the phase transformation in heavy REMs.

FeRh-based alloys have attracted significant attention due to their magnetic phase transition and significant magnetocaloric effects. These properties position them as promising candidates for fundamental research and practical applications, including magnetic cooling and targeted drug delivery. The study of FeRh alloys, particularly those where Rhodium or Iron atoms are substituted with other transition metals, is crucial as certain substitutions preserve the alloy's magnetocaloric properties. However, even within a specific structural type and without considering competing phases, determining which atom (Fe or Rh) is replaced upon introducing a third element remains unclear. This paper addresses this ambiguity through ab initio calculations. We propose an approach to predict whether a dopant will replace Fe or Rh, offering insights into the electronic and structural factors influencing the substitution. Additionally, we present a dataset of ab initio calculations on doped FeRh alloys, which will support future data-driven modeling efforts. Our findings not only advance the understanding of FeRh-based alloys but also contribute to the design of novel materials for experimental and industrial applications. [ABSTRACT FROM AUTHOR]

It is well‐established that oxidation of a stepped surface can lead to the formation of 1D metal oxide nanowires along the steps. However, it is still uncertain how the extent of surface oxidation impacts the characteristics of these nanowires. Ab initio study of the effect of the oxidation state of a nonmagnetic vicinal Au surface on the magnetic properties of 1D Mn nanowires formed on the step edge is presented. Herein, the magnetic properties and electronic structure of two different types of nanowires are investigated: 1D manganese oxides (MnO) and 1D dioxides (MnO2), which correspond to different levels of oxidation of the substrate surface. [ABSTRACT FROM AUTHOR]