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Thermomechanical approach to calculating mechanical stresses in inhomogeneous fluids and its applications to ionic fluids
Journal of Statistical Mechanics: Theory and Experiment. 2024. Vol. 2024. No. 12. Article 123201.
This extended article presents a thermomechanical approach for calculating the stress tensor from the thermodynamic potential of inhomogeneous fluids and some applications to ionic fluids. The technique, based on the invariance of the fluid's thermodynamic potential with respect to spatial transformations of translation and rotation, offers an alternative to the general covariant approach developed by two of the authors. We apply this technique to both pure mean-field theories of fluids in general and a theory that includes thermal fluctuations of the order parameter, using the example of ionic fluids. Additionally, we apply the thermomechanical approach to fluid models with vector order parameters, such as liquid dielectrics. For this case, we obtain a general expression for the stress tensor. Furthermore, we discuss specific issues related to the calculation of disjoining pressure in ionic fluids confined in nanoscale slit-like pores with metal or dielectric walls, using the Coulomb gas model. To test the robustness of the proposed approach, we reproduce a number of known results from the statistical theory of inhomogeneous fluids and obtain several new ones.
Flamarion M. V., Pelinovsky E., Nonlinear Dynamics 2026 Vol. 114 Article 784
In this article, we investigate wave packet and solitary wave dynamics in the Whitham–Ostrovsky (WO) equation. By means of a multiple-scales expansion, we formally derive a nonlinear Schrödinger (NLS) equation governing the envelope evolution.The corresponding modulational stability diagram is then obtained using the Lighthill criterion. We show that sufficiently large values of the low-frequency dispersive term render ...
Added: June 5, 2026
Medvedev T. V., Pochinka O., Chaos 2026 Vol. 36 No. 6 Article 063107
We consider 3-diffeomorphisms with source–sink dynamics where Smale solenoids play the role of the source and the sink (NSSS-diffeomorphisms). It is known that such diffeomorphisms exist only on lens spaces. On the 3-sphere, every NSSS-diffeomorphism is associated with an exchangeable braid. An exchangeable braid with the strand number n was constructed for each n 3 in such a way ...
Added: June 4, 2026
Hazarika A. P., Das A., Das S. K. et al., Physica B: Condensed Matter 2026 Vol. 738 Article 418803
Lemon grass (Cymbopogon citratus, LG-SiO2), horsetail (Equisetum debile, SG-SiO2), and cassava leaves (Manihot esculenta, CL-SiO2) were used to green-synthesize silica (SiO2) nanoparticles (NPs). While LG-SiO2 and SG-SiO2 had strong (101) peaks and a large 22° amorphous peak, XRD of CL-SiO2 verified crystallinity. LG-SiO2 (agglomerated porous), SG-SiO2 (rectangular-cube agglomerates), and CL-SiO2 (flake agglomerates) had different morphologies. The TEM image of LG-SiO2 revealed agglomerated ...
Added: June 4, 2026
Novikov A., New Journal of Chemistry 2026 Vol. - No. - Article 0
Rational design of gold-based nanocarriers for neurotherapeutics requires atomic-scale understanding of drug-material interactions. Density functional theory calculations were performed to investigate levodopa (L-DOPA) adsorption on small gold clusters (Au2–Au4) with cationic, neutral, and anionic charges, with additional validation on a larger Au10 cluster using multiple low-energy isomers. Binding free energies (ΔGbind), charge transfer, and electronic descriptors ...
Added: June 3, 2026
Nozdrinova E., Pochinka O., Shmukler V., Математический сборник 2026 Т. 217 № 6 С. 71–89
Гомеоморфизмы топологических пространств называются эквивалентными по надстройке, если надстройки над ними топологически эквивалентны. В частности, топологически сопряженные гомеоморфизмы эквивалентны по надстройке. Известно, что для гомологически неприводимых гомеоморфизмов их топологическая сопряженность является необходимым и достаточным условием их эквивалентности по надстройке. Тогда как инварианты топологической сопряженности гомологически приводимых гомеоморфизмов во многих случаях являются избыточными для эквивалентности по ...
Added: June 3, 2026
Kornbleuth M., Opher M., Drake J. F. et al., Astrophysical Journal 2026 Vol. 1004 No. 1 Article 1
The shape of the heliosphere, regarded as comet-like since the 1960s, has recently been the subject of intense debate in the last decade. There is disagreement as to whether the heliospheric tail extends to ∼10,000 au in a comet-like shape or if it is short (∼400 au) with a split. Energetic neutral atom (ENA) maps from ...
Added: June 3, 2026
Kartsev A., Nishant T., Saswata G. et al., Journal of Materials Chemistry C 2026 Article -
Overheating remains a critical limitation in high-performance electronic and computing systems,
necessitating the development of efficient thermal management fluids. In this work, a magnetically
responsive hybrid ferrofluid was developed by incorporating two-dimensional hexagonal boron nitride
(2D-hBN) nanosheets into a Mn–Zn–ferrite-based ferrofluid. The hybrid system retains magnetic
responsiveness while leveraging the high in-plane thermal conductivity and chemical stability of 2D-hBN
nanosheets. ...
Added: June 2, 2026
Fortuna A. S., A.I. Kartsev, Gorshenkov M. V. et al., Journal of Alloys and Compounds 2026 Vol. 1070 Article 188711
The τ-phase in Mn-Al-Ga alloys is a promising candidate for rare-earth-free permanent magnets. This study re-veals that the τ(γ₂)-phase in rapidly quenched Mn55Al36Ga9 ribbons contains a high density of dislocations, which
form antiphase boundaries (APBs). Using transmission electron microscopy and density functional theory, we
demonstrate that Mn atoms at these APBs couple antiferromagnetically. This antiferromagnetic interaction is
identified ...
Added: June 2, 2026
Das A., Saikia J., Maji N. et al., ChemNanoMat 2026 Vol. 12 No. 5 Article e202500733
Developing efficient photoactive materials from bio-derived resources is vital yet challenging for achieving effective water splitting performance. In this work, nano carbon dots (CDs) of zero-dimensional (0D) were synthesized from papaya peel through a simple and eco-friendly process and subsequently anchored onto the two-dimensional (2D) layered structure of graphitic carbon nitride (g-C3N4, GCN) at various ...
Added: June 2, 2026
Wary R. R., Mahato B., Sharma N. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 17 P. 5099–5107
Development of heterojunction materials is an efficient approach for enhancing photocatalytic and photoelectrochemical processes. We develop a ZnO/CuO heterojunction via Cu doping into a ZnO matrix. Structural characterization confirmed that Cu was effectively incorporated into ZnO without any structural changes. The improved optical properties and reduced charge carrier recombination of the doped samples were confirmed ...
Added: June 2, 2026
Gnetov F., Konakov V., Успехи математических наук 2026 Т. 81 № 3 (489) С. 161–162
Пусть M обозначает симметрическое пространство некомпактного типа ранга 1. Опираясь на фундаментальную работу [1], в [2] было показано, что плотность соответствующим образом нормированной суммы независимых Hn-значных случайных величин, определенная через сложение Мёбиуса в модели шара Пуанкаре, сходится к фундаментальному решению соответствующего уравнения теплопроводности. Пределом являлся нормальный закон на Hn, соответствующий ядру теплопроводности, определяемому оператором Лапласа–Бельтрами. ...
Added: June 2, 2026
Dikhtievskaya K., Argunov E., Карцев А. И. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 17 P. 4999–5004
In this study we revealed the effect of scandium doping on the electronic and superconducting properties of the MgB2 compound. Calculations demonstrate that Sc substitutes for Mg atoms, acting as an electron donor. Mg substitution diminishes the density of states in the σ-band and attenuates the electron–phonon coupling, thereby elucidating the reduction in critical temperature. Simultaneously, ...
Added: June 2, 2026
Duran E. ., Pulgar A., Izquierdo R. et al., Physica Status Solidi (A) Applications and Materials 2026 Vol. 223 No. 7 Article e202500942
Ceramic superconductors exhibit remarkable properties, including zero electrical resistance and potent magnetic behavior, operating at temperatures as high as the boiling points of liquid nitrogen (77 K) and liquid hydrogen (20 K). These characteristics position them as key enablers for sustainable technologies spanning electric propulsion, lossless energy transmission, advanced medical imaging, and quantum computation. This review presents ...
Added: June 1, 2026
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Hossein Vasigh S. A. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 13 P. 3978–3985
Water electrolysis is a key technology for sustainable energy conversion and hydrogen generation. Recently, high-entropy oxides (HEOs) have emerged as promising materials because they allow tuning of structural, electronic, and catalytic properties in multifunctional systems. Here, we report the synthesis of a multicomponent La(FeCoCuTiNiMnMgSnZn)O3 perovskite, and its hybridization with reduced graphene oxide (rGO) to form a ...
Added: June 1, 2026
Petr E. Brandyshev, Yury A. Budkov, Journal of Mathematical Physics 2025 Vol. 66 No. 12 Article 123301
We present a quantum theory of Casimir forces between perfect electrical conductors, based on quantum electrodynamics and quantum statistical physics. This theory utilizes Kapusta’s finite-temperature field theory, combined with the Faddeev–Popov ghost formalism. This approach allows us to calculate Casimir forces at finite temperatures, providing both previously known and new physical insights from a unified ...
Added: December 1, 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
Dmitry Vasilyev, Journal of Physics: Conference Series 2021 Vol. 1942 Article 012017
In this work, structural, elastic and thermal properties of the Laves phase Fe2Mo (λ-) with the C14-type structure existing in the Fe – Mo system have been investigated using the quantum mechanical calculations within the frame of the density functional theory (DFT). The equilibrium lattice parameters, atoms position coordinates and average magnetic moment of atoms ...
Added: July 26, 2025
Vasilyev Dmitry, Physica B: Condensed Matter 2021 Vol. 621 No. 15 Article 413307
In this work, a new method of searching a most energetically favorable free energy calculated along different thermal expansion paths of a compound is proposed. This makes it possible to reduce the problem to a one-dimensional case and to consider free energy as having one variable - volume. The method was applied to study the ...
Added: July 25, 2025
Victoria A. Vasileva, Daria A. Mazur, Petr E. Brandyshev et al., Journal of Chemical Physics 2025 Vol. 163 No. 3 Article 034709
This study employs modified Poisson–Boltzmann theory to systematically investigate the influence of zwitterionic osmolyte additives to an electrolyte solution on disjoining pressure and electric differential capacitance within charged, slit-like nanopores with conductive walls. We demonstrate that increasing concentrations of zwitterionic osmolytes synergistically enhance both disjoining pressure and differential capacitance, highlighting their dual role in the ...
Added: July 16, 2025
Darya L. Gurina, Kruchinin S. E., Yury A. Budkov, Electrochimica Acta 2025 Vol. 535 Article 146711
Supercapacitors are becoming increasingly important in energy storage applications due to their high power density, long cycle life, and fast charging capabilities. However, to further enhance supercapacitor performance, a deeper understanding of the electric double layer (EDL) structure at the electrode-electrolyte interface is essential. This molecular dynamics (MD) study explores the structure and electrochemical behavior ...
Added: June 16, 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
Darya Gurina, Budkov Y., Journal of Molecular Liquids 2025 Vol. 419 Article 126734
In this study, we used molecular dynamics simulations to investigate the effects of diluting [EMIM][NTf2] with DMSO on the behavior of the electrolyte within negatively charged slit-like micropores. Our results demonstrate clear differences in electrolyte composition between confined and bulk phase. Increasing the DMSO content leads to higher concentrations of counterions within the pores, particularly ...
Added: December 22, 2024
Yury A. Budkov, Kalikin N., Springer, 2024.
This book presents statistical physics methods based on self-consistent field theory for describing the thermodynamic properties of ion-molecular systems, including electrolyte solutions, ionic liquids, polymeric ionic liquids, and metal-organic complexes. The methods are applicable in both the bulk and at interfaces, taking into account the molecular structure of these systems. The book also provides a ...
Added: October 1, 2024
Plyashechnik A., Alexey A. Sokolik, Yurii E. Lozovik, Physical Review A: Atomic, Molecular, and Optical physics 2024 Vol. 110 No. 1 Article 013301
We consider Bose-Einstein condensation of noninteracting homogeneous three-dimensional gas in canonical ensemble when both particle number N and total momentum P of all particles are fixed. Using the saddle-point method, we derive the large-N analytical approximations for partition function, free energy, and statistical distributions of occupation numbers of different single-particle energy levels. At temperatures below ...
Added: July 22, 2024