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Modified embedded-atom method interatomic potentials for the Al-Mn, Ti-Mn and Cu-Mn binary alloys
Materials Letters. 2024. Vol. 359. Article 135968.
Interatomic potentials based on the second nearest-neighbor modified embedded-atom method (2NN-MEAM) have been developed for Al-Mn, Ti-Mn and Cu-Mn binary alloys. The potentials were utilized to determine structural, mechanical and thermodynamic properties of intermetallic phases, which were in good agreement with the experimental data or first-principles calculations. The potentials can be utilized to study different properties of binary intermetallic compounds (ICs), as well as to complete interatomic potential for (FeCoNiMnCu)-(AlTi)-based high entropy intermetallic compounds (HEICs) and unraveling their physical metallurgy at atomic scales.
Bisnovatyi-Kogan G., Kondratyev I., Moiseenko S. G., International Journal of Modern Physics A 2025 Vol. 40 No. 7 Article 2550018
Bright transient objects in different wave bands have been discovered in recent years.
To explain these short (from ms to s), and very powerful events, different models, galactic and
extragalactic, have been considered. One of the popular models is based on the suggestion of
transformation of the magnetized plasma blob, presumably a magnetohydrodynamic (MHD)
shock wave, moving with relativistic ...
Added: May 11, 2026
Торопина О. Д., Бисноватый-Коган Г. С., Moiseenko S. G., Astronomy Reports 2025 Vol. 69 No. Suppl. 1 P. 80–90
The results of MHD simulations of supersonic astrophysical and laboratory jets in an external
poloidal magnetic field (Br,Bz) taking into account the rotation of the matter, are presented. The ejected
matter is collimated by the magnetic field, the degree of collimation and the flow structure depend on the
relation between of the magnetic field induction and the angular ...
Added: May 11, 2026
Гущина В. А., Russian Journal of Inorganic Chemistry 2024 Vol. 69 No. 6 P. 940–948
Currently, ABX3 nanoparticles (NPs) based on lead halides attract the attention due to their unique optical properties and a wide range of applications. The preparation of NPs with lead as a partial or complete replacement is particularly interesting because of the toxicity of this chemical element and most of its compounds. In this study, we propose a ...
Added: May 6, 2026
Yasnitsky L., Голдобин М. А., Мезенцев А. С., Прикладная математика и вопросы управления 2025 № 2 С. 99–116
Представлен обзор современных методов и основанных на них программных
инструментах, применяемых для математического моделирования серийных производственных процессов с целью снижения брака и повышения качества производимых изделий. Перечисляются группы работ, нацеленных на обнаружение и классификацию дефектов, работ, в которых решаются задачи прогнозирования образования дефектов и определения значимости параметров, работ направленных на поиск
оптимального сочетания технологических параметров изготовления изделий, ...
Added: May 5, 2026
Morozov E. V., Demin A. S., Borovitskaya I. V. et al., Inorganic Materials: Applied Research 2026 Vol. 17 No. 3 P. 619–626
This article presents the results of experiments on the impact of powerful pulsed ion-plasma and
electron flows generated in the working chamber of the Plasma Focus PF-5M installation during each highvoltage
discharge on a model aluminum alloy B95. It is shown that the general characteristics of the alloy’s
damage upon exposure to pulsed flows of helium ions (HI) ...
Added: May 4, 2026
Ponomarev A., Aleksandrov N., Plasma Physics Reports 2026 Vol. 52 No. 3 P. 367–378
An approximate method for calculating drift velocity and other kinetic coefficients of heavy ions
in a light gas is generalized to gaseous mixtures. Obtained equations are used to calculate the mobilities of
and ions, as well as rate constants for inelastic ion–molecule processes with these ions in helium with
small additions of O2 under an electric field. Calculated ...
Added: April 27, 2026
Domrin V. I., Malova H. V., V. Yu. Popov et al., Cosmic Research 2026 Vol. 64 No. 2 P. 238–252
During magnetospheric perturbations a relatively thin current sheet with thickness about several
proton gyroradii forms in the Earth’s magnetotail. In a framework of the kinetic model describing current
sheet thinning in the magnetotail, the processes of its formation are investigated depending on the normal
magnetic field magnitude which affects both the current sheet structure and particle dynamics within ...
Added: April 27, 2026
Tsareva O. O., Malova H. V., V. Yu. Popov et al., Plasma Physics Reports 2026 Vol. 52 No. 2 P. 179–185
The influence of asymmetry of plasma sources on the structure and spatial localization of a superthin
current sheet (STCS) supported by demagnetized electrons is studied using a self-consistent model. The
simulation takes into account the presence of a single plasma source in the northern hemisphere, which
makes the plasma flow asymmetric. It is demonstrated that the asymmetry of ...
Added: April 27, 2026
П.А.Беспалов, О.Н. Савина, Геомагнетизм и аэрономия 2025 Т. 65 № 5 С. 620–628
Several basic models of frequency dynamics in quasi-periodic VLF emissions with spectral form repetition
periods from 10 to 300 s are considered. In all cases, we are talking about manifestations of cyclotron instability
of electron radiation belts thet are well described within the framework of the plasma magnetospheric maser
theory based an the averaged self-consistent system of quasi-linear ...
Added: April 25, 2026
Bondarenko G.G., Fisher M. R., Kristya V. I., Bulletin of the Russian Academy of Sciences: Physics 2026 Vol. 90 No. 4 P. 572–576
A model of the cathode layer of a glow gas discharge with a thin dielectric film on a fraction of the
cathode’s working surface is formulated. It is shown that a glow discharge most rapidly transits to an arc discharge,
accompanied by a significant increase in discharge current density and a decrease in cathode voltage
drop, if the ...
Added: April 25, 2026
Lu X., Tognazzi A., Klimov V. et al., Plasmonics 2026 Vol. 21 P. 1503–1512
Plasmonic nanostructures typically exhibit shifts in their resonant wavelength in response to changes in the refractive index of the surrounding medium. This limits their applications in scenarios requiring stable optical resonances. Here we present a metallic-dielectric hybrid metasurface that exhibits stable multi-wavelength resonance even if the refractive index of its surrounding varies. To quantitatively evaluate the stability of ...
Added: April 22, 2026
Shchur L., Antonov D., Burovski E., International Journal of Bifurcation and Chaos in Applied Sciences and Engineering 2026 P. 1–9
We present a simple model that simulates the possible influence of one society on another. Specifically, two societies evolve deterministically according to the well-known Nowak-May spatial game with the addition of mutual influence through connections that reflect the current states of the societies. This may be related to the influence of a global information resource ...
Added: April 20, 2026
Qin X., Deng Y., Shchur L. et al., / Series arXiv "math". 2026. No. 2603.02962.
We perform a Monte Carlo analysis of the Ising model on many three-dimensional lattices. By means of finite-size scaling we obtain the critical points and determine the scaling dimensions. As expected, the critical exponents agree with the three-dimensional Ising universality class for all models. The irrelevant field, as revealed by the correction-to-scaling amplitudes, appears to ...
Added: April 20, 2026
Pilé I., Deng Y., Shchur L., / Series arXiv "math". 2026. No. 2604.10254.
We investigate the spatial overlap of successive spin configurations in Markov chain Monte Carlo simulations using the local Metropolis algorithm and the Svendsen-Wang and Wolff cluster algorithms. We examine the dynamics of these algorithms for two models in different universality classes: the Ising model and the Potts model with three components. The overlap of two ...
Added: April 20, 2026
Doronin S. V., Budkov Y., Current Opinion in Electrochemistry 2026 Vol. 57 Article 101853
The electric double layer (EDL) governs charge distribution at electrode–electrolyte interfaces, controlling reaction kinetics and energy storage performance. This mini review surveys the evolution of EDL theory—from the classical Gouy-Chapman-Stern framework to modern coupled quantum-continuum schemes that integrate electronic structure with statistical mechanics. We show how modified Poisson–Boltzmann (mPB) formu-lations incorporating finite ion size, dielectric ...
Added: April 19, 2026
Nikolai N. Kalikin, Petr E. Brandyshev, Yury A. Budkov, Journal of Chemical Physics 2026 Vol. 164 No. 15 Article 154904
This study presents a mean-field theory for zwitterionic polymer solutions confined within attractive slit-like nanopores. Building upon our prior model for self-coacervation [Budkov et al., Soft Matter 19, 3281–3289 (2023)], we demonstrate that strong electrostatic dipole–dipole correlations between monomeric units, coupled with attraction to pore walls, can induce capillary-driven liquid–liquid phase separation inside the pore—a ...
Added: April 18, 2026
Mikhail R. Samatov, Liu D., Emir S. Amirov et al., The Journal of Physical Chemistry Letters 2025 Vol. 16 No. 51 P. 13068–13074
Ion migration at grain boundaries (GBs) is a key issue leading to the performance degradation of metal halide perovskites (MHPs). Given the weak lattice interactions, the properties of MHPs are highly sensitive to external strain, which is inevitable in practical applications. Nevertheless, a fundamental understanding of the GB behavior under strain is still lacking. Using ...
Added: December 20, 2025
Babicheva R., Kumar A., Kiran R. et al., Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science 2025 Vol. 56 P. 5646–5663
In the work, simulations using Monte Carlo (MC) and molecular dynamics (MD) methods are carried out to investigate the Nb–Ta–Hf–Zr system refractory high-entropy alloys (HEAs). In particular, the effects of chemical composition and grain boundary (GB) network on short-range ordering (SRO) during combined MC/MD modeling of relaxation mimicking diffusion process are investigated on single-crystalline and ...
Added: November 27, 2025
Aliper E., Ryzhov I., Obukhova P. et al., Biochimica et Biophysica Acta - Biomembranes 2026 Vol. 1868 No. 1 Article 184472
Antibodies to peptide 1147 (amino acids 1147-61) of the SARS-CoV-2 protein S are highly diagnostic. Peptide 1147, although located in a region that is partly spatially hidden in the intact protein, is not subject to mutations, suggesting therapeutic potential. The aim of this study was to elucidate the architecture of this region and the way ...
Added: October 20, 2025
Solovykh A., Rybin N., I. S. Novikov et al., Computer Physics Communications 2025 Vol. 319 Article 109902
Accounting for nuclear quantum effects (NQEs) can significantly alter material properties at finite temperatures. Atomic modeling using the pathintegral molecular dynamics (PIMD) method can fully account for such effects, but requires computationally efficient and accurate models of interatomic interactions. Empirical potentials are fast but may lack sufficient accuracy, whereas quantum-mechanical calculations are highly accurate but ...
Added: October 16, 2025
Volynsky P., Urban A., Pavlov K. et al., International Journal of Molecular Sciences 2025 Vol. 26 No. 2 Article 553
Alzheimer’s disease (AD) pathogenesis is correlated with the membrane content
of various lipid species, including cholesterol, whose interactions with amyloid precursor
protein (APP) have been extensively explored. Amyloid-β peptides triggering AD are
products of APP cleavage by secretases, which differ depending on the APP and secretase location
relative to ordered or disordered membrane microdomains. We used high-resolution
NMR to probe ...
Added: October 12, 2025
Chalykh O., Korogod D., Ivan S. Novikov et al., Journal of Chemical Physics 2025 Vol. 163 No. 13 Article 134112
In this study, we investigate the effect of incorporating explicit dispersion interactions in the functional form of machine learning interatomic potentials (MLIPs), particularly in the moment tensor potential and equivariant tensor network potential, for accurate modeling of liquid carbon tetrachloride, methane, and toluene. We demonstrate that the explicit incorporation of dispersion interactions via D2 and ...
Added: October 12, 2025
Ustinov A., Гузев М. А., Дальневосточный математический журнал 2016 Т. 16 № 1 С. 39–43
We use the number theory methods for explicit calculation of a static stress field in the system of a 1D chain harmonic oscillators. The sums defining stress field are presented in terms of Korobov polynomials for arbitrary number of oscillators and arbitrary averaging scale. ...
Added: October 9, 2025
Nesterova I., Kondratyuk N., Budkov Y. et al., Advances in Colloid and Interface Science 2025 Vol. 346 Article 103623
Room temperature ionic liquids show great promise as electrolytes in various technological applications, such as energy storage or electrotunable lubrication. These applications are particularly intriguing due to the specific behavior of ionic liquids in nanoconfinement. While previous research has been focused on optimizing the required characteristics through the selection of electrolyte properties, the contribution of ...
Added: September 2, 2025