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Теоретические и вычислительные подходы к предсказанию вязкости жидкостей
Успехи физических наук. 2023. Т. 193. № 4. С. 437–461.
Predictive models for the shear viscosity of liquids and gases together with the exact equations of state have a great importance for the problems of hydrodynamic modeling of processes occurring in nature, industrial plants and mechanisms. This review aims to consider the currently proposed theoretical, including atomistic modeling, and empirical approaches for predicting the viscosity of liquids, gases and their mixtures in a wide range of thermodynamic conditions. We analyse the viscosity models of homogeneous liquids that are thermodynamically stable. The dynamics of supercooled and glassy liquids, dispersed systems (colloids, emulsions) remains beyond the scope of this review. We discuss the range of applicability of correlation methods for predicting viscosity and the accuracy of various methods at the pressures up to 1 GPa. The application examples of various approaches for hydrocarbons - model oil and gas, fuel and lubrication systems are given. The reported study was funded by RFBR, project number 20-18-50214.
Aleksei Samarin, Nazarenko A., Nazarenko D. et al., Machine Learning and Knowledge Extraction 2026 Vol. 8 No. 10 Article 330
Automated microscopic image analysis is essential for quantitative microbiology, yet manual acquisition and generic recognition models struggle with morphological variability and scene artifacts. We address both ends of this pipeline. First, we present a low-cost, open-source acquisition system, based on an Arduino UNO R3 microcontroller and NEMA 17 stepper motors, that automates focusing, magnification, and ...
Added: October 14, 2026
Mamedov I., Fofanov M., Lukianchenko P. et al., IEEE Access 2026 No. 14 P. 26662–26671
DreamBooth-style personalization, which often relies on one or a few images, can memorize context (background, pose, lighting) rather than learning the subject’s identity, thereby reducing fidelity and limiting prompt-driven edits. P-LoRA (Probability LoRA) is introduced as a training-time modification that biases diffusion timestep sampling and utilizes importance weights, ensuring that the overall objective remains unchanged. ...
Added: October 14, 2026
Springer, 2026.
This book highlights cutting-edge research in the field of network science, offering scientists, researchers, students and practitioners a unique update on the latest advances in theory and a multitude of applications. It presents the peer-reviewed proceedings of the XIV International Conference on Complex Networks and their Applications (COMPLEX NETWORKS 2025). The carefully selected papers cover ...
Added: October 13, 2026
Springer, 2026.
This book offers a comprehensive overview of the latest research, innovations, and practical applications in the field of sustainability, with a focus on construction materials and their use in building and civil engineering structures. As an outcome of the 3rd International Conference on Sustainability: Developments and Innovations (ICSDI 2026), this book presents a selection of ...
Added: October 13, 2026
Dmitriev A., Kornilov V., Batienkov R., Lecture Notes in Civil Engineering 2026 Vol. 886 P. 249–255
Numerous studies have provided compelling evidence that the probability distribution of avalanche sizes follows a power law, and that 1/f noise is present in the stochastic dynamics of landslides. We present a theoretical explanation of these phenomena within the framework of self-organized criticality theory, proposing a discrete-time model in the form of a sandpile cellular ...
Added: October 13, 2026
Dmitriev A., Shulman I., Lebedev A., Studies in Computational Intelligence 2026 Vol. 1265 P. 266–273
A discrete-time model is presented for the self-organization of the X/Twitter social network to the edge of a phase transition, characterized by avalanche-like propagation of information in the network. The model is based on the analogy between the critical dynamics of the X social network and sandpile cellular automata with Manna rule on the Chung-Lu ...
Added: October 13, 2026
Arutyunov K., Kharitonov I. A., Petrosyants K. O., JETP Letters 2026 Vol. 124 No. 6 P. 1–16
Superconducting properties of metallic micro- and nanowires can be entirely different from those of bulk superconductors. Of particular interest is the nonequilibrium current-induced state of a quasi-one-dimensional superconducting channel. The most interesting phenomenon here is the stepped I–V characteristic, explained by a process known as phase slip center activation. If the origin of such step-like ...
Added: October 13, 2026
Makarov D. M., Kalikin N., Fashchevsky K. A. et al., Electrochimica Acta 2026 Vol. 579 Article 150159
Machine learning (ML) has become a powerful tool for accelerating the development of carbon-based supercapacitors;
however, most published models assume that a single predictive framework can describe both conventional
porous carbons and hybrid carbon electrodes. Here, we test this assumption using a comprehensive
benchmark dataset and an extended literature-curated dataset enriched with synthesis- and electrolyte-related
descriptors. Three ML algorithms ...
Added: October 13, 2026
Leon L. Ogorodnikov, Sergey S. Vergeles, Physical Review Fluids 2025 Vol. 10 No. 12 Article 124702
We study the spatial dependence of pair correlation functions of velocity field com ponents in a rotating turbulent fluid on a background of a coherent geostrophic vortex. The statistics of the turbulent pulsations are determined by their dynamics, which is the dynamics of inertial waves affected by the differential rotation in the vortex and a ...
Added: February 24, 2026
Grechishnikova A., Трофимчук Е. С., Егоров А. А. et al., Перспективные материалы 2025 № 11 С. 17–28
Composite gels based on polyvinylpyrrolidone (PVP) and alginate (Alg) with carbonate hydroxyapatite (CHA) were obtained. Their kinematic and dynamic viscosities were measured. It has been shown that the introduction of CHA in an amount of up to 40 % by weight of polymers leads to a decrease in kinematic viscosity, and the introduction of 50 ...
Added: November 26, 2025
Yury A. Budkov, Nikolai N. Kalikin, Petr E. Brandyshev, Journal of Chemical Physics 2025 Vol. 163 No. 2 Article 024502
Accurately describing liquids and their mixtures beyond equilibrium remains a significant challenge in modern chemical physics and physical chemistry, especially regarding the calculation of transport properties in liquid-phase systems. This paper introduces a phenomenological nonequilibrium theory specifically designed for multicomponent liquid-phase solutions. Our field-theoretical framework, rooted in nonequilibrium statistical mechanics, incorporates quasi-stationary concentration fluctuations that ...
Added: July 8, 2025
Блинова Е. Н., Sherbakova O., Психологический журнал 2024 Т. 45 № 5 С. 34–44
In this article, we analyze the state-of-the-art in international research on comprehension of texts of new formats. We describe the concept of “multimedia text”, which is widely accepted in literature, as well as discuss its alternatives. Also, we thoroughly describe key theoretical models, such as the Cognitive Theory of Multimedia Learning and the Integrated Model ...
Added: February 28, 2025
Блинова Е. Н., Sherbakova O., Психологический журнал 2024 Т. 45 № 4 С. 16–28
In this article, we review a range of Russian-language studies investigating readers’ interaction with
new text formats. We identify the key problems preventing proper generalization of such research data. These
include: (1) the absence of agreed terminology for describing texts of new formats shared by most researchers,
and (2) the lack of consistency in theoretical approaches for describing ...
Added: February 28, 2025
Odintsova E., Darya L. Gurina, Kruchinin S. E. et al., Industrial & Engineering Chemistry Research 2025 Vol. 64 No. 6 P. 3531–3543
The ability to predict transport properties, such as viscosity, through molecular simulation is a valuable advantage. Obtaining reliable estimates for these properties can be more challenging compared to equilibrium properties. Our manuscript focuses on an in-depth discussion of two prominent methods for predicting transport properties: equilibrium molecular dynamics (EMD) using the Green−Kubo approach and nonequilibrium ...
Added: February 5, 2025
Konshina A., Bocharov E., Konovalova E. et al., International Journal of Molecular Sciences (Швейцария) 2024 Vol. 25 No. 21 Article 11370
Non-immunoglobulin-based scaffold proteins (SPs) represent one of the key therapeutic
target-specific and high-affinity binders in modern medicine. Among their cellular targets are signaling
receptors, in particular, receptor tyrosine kinases, whose dysfunction leads to the development
of cancer and other serious diseases. Successful applications of SPs have been reported for
HER receptor type 2 (HER2), a member of the human ...
Added: December 9, 2024
Aliper E., Roman G. Efremov, International Journal of Molecular Sciences 2023 Vol. 24 No. 22 Article 16421
Membrane-spanning portions of proteins’ polypeptide chains are commonly known as
their transmembrane domains (TMDs). The structural organisation and dynamic behaviour of TMDs
from proteins of various families, be that receptors, ion channels, enzymes etc., have been under
scrutiny on the part of the scientific community for the last few decades. The reason for such attention
is that, apart from ...
Added: September 15, 2024
Дещеня В. И., Kondratyuk N., Высокомолекулярные соединения. Серия С 2023 Т. 65 № 1 С. 91–109
The history and prospects for the development of interatomic interaction potentials for the simulation of molecular systems and, in particular, polysaccharides are presented. Popular families of potentials, such as CHARMM, GROMOS, AMBER, and OPLS, are considered. Problems that limit the applicability of these models to sugar monomers have been recognized, which are poor reproducibility of ...
Added: October 26, 2023
Glushak A., Smirnov G., Applied Clay Science 2023 Vol. 243 Article 107072
Friedel’s salt, also known as Cl-Hydrocalumite, (Ca2[Al(OH)6]⋅ Cl⋅2H2O), is one of the calcium aluminates phases (AFm phases). It can accommodate radioactive chlorine isotopes, serving as a potential material in radioactive waste applications. Earlier X-Ray diffraction and nuclear magnetic resonance (NMR) experiments demonstrated the existence of the first-order phase transition between 303 K and 313 K. The ...
Added: July 31, 2023
Zelenina A. I., Gordeev I. S., Kolotova L., Journal of Non-Crystalline Solids 2023 Vol. 606 Article 122215
Plasmonic nanoobjects have many applications from biosensors to electronic device components. The most promising method for obtaining such objects is the laser printing method due to the possibility of controlling the resulting structure by experimental conditions. In this work, the influence of laser printing initial parameters and Al content on silicon-aluminum nanoparticles (NPs) structure were investigated by a combination ...
Added: June 28, 2023
Medvedev M., Stroganov O., Dmitrienko A. et al., Mendeleev Communications 2022 Vol. 32 No. 6 P. 735–738
Here we propose an over-the-hood docking method that compensates for systematic errors in the docking force fields. This method explicitly estimates the interaction energy of the ligand with the protein surface and uses it as a baseline to estimate the actual binding energy in the active site. It improves the accuracy of virtual screening in the LeadFinder package by up ...
Added: October 25, 2022
Дещеня В. И., Kondratyuk N., Ланкин А. В. et al., Журнал физической химии 2022 Т. 96 № 3 С. 373–380
The temperature dependence of density is calculated for an aqueous solution of sucrose by the molecular dynamics method. The coefficients of viscosity and diffusion are also obtained in the 273–343 K range of temperatures. The hydrodynamic radius of a sucrose molecule in an aqueous solution is calculated. The obtained data are compared with the experimental ...
Added: October 24, 2022
Deshchenya V. I., N. D. Kondratyuk, Lankin A. V. et al., Journal of Molecular Liquids 2022 Vol. 367 Article 120456
In this work, we study the applicability of the equilibrium molecular dynamics methods for the prediction of both static and dynamic properties of sucrose aqueous solution for various concentrations and temperatures.
The OPLS-AA force field with 1.14*CM1A charge corrections is used to describe the interactions in the model.
We analyze the prediction power of the model against ...
Added: August 9, 2022
Nikitiuk B., D. I. Salikova, N. D. Kondratyuk et al., Journal of Molecular Liquids 2022 Vol. 368 Article 120714
The scaling between the excess entropy and transport coefficients of liquids is an interesting property found by Rosenfeld in atomistic simulations. Later, Dzugutov proposed to estimate the excess entropy on the basis of the pair entropy. That approach has been shown to work well for atomic liquids and rigid molecules, but there is a problem ...
Added: August 9, 2022
Bocharov E. V., Gremer L., Urban A. S. et al., Journal of Medicinal Chemistry 2021 Vol. 64 No. 22 P. 16464–16479
Alzheimer’s disease (AD) is a severe neurodegenerative pathology with
no effective treatment known. Toxic amyloid-β peptide (Aβ) oligomers play a crucial
role in AD pathogenesis. All-D-Enantiomeric peptide D3 and its derivatives were
developed to disassemble and destroy cytotoxic Aβ aggregates. One of the D3-like
compounds is approaching phase II clinical trials; however, high-resolution details of its
disease-preventing or pharmacological actions ...
Added: February 1, 2022