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Disjoining Pressure Decay Length in Room-Temperature Ionic Liquids: A Molecular Simulation Study
Journal of Physical Chemistry B. 2024. Vol. 128. No. 9. P. 2215–2218.
We present all-atom molecular simulations to investigate the behavior of 1-ethyl-3-methylimidazolium tetrafluoroborate ([EMIM][BF4]) in negatively charged carbon nanopores of different widths (h = 5÷15 nm) and lengths (l = 4÷10 nm). The goal of our study was to determine how the disjoining pressure varies as a function of the pore width at different lengths and to understand the influence of edge effects. Our results show that the edge effect decreases as the pore length increases. Using an exponential function, we can approximate the disjoining pressure at large pore widths and use this approximation to estimate the decay length that can correlate with the electrostatic screening length. The results agreed well with those of previous experimental studies.
Войтович В. И., Makhov I., Мельниченко И. А. et al., Optics Letters 2026 Vol. 51 No. 17 P. 4872–4875
The influence of cavity surface passivation with SiO2 coating deposited by the plasma-enhanced chemical vapor deposition technique is investigated for injection microdisk lasers with an InGaAsN/GaAs quantum well active region. The electroluminescence spectra of the microdisk lasers with cavity diameters ranging from 12 to 32 μm with and without sidewall surface passivation were studied for a ...
Added: September 25, 2026
Бабичев А. В., Makhov I., Kryzhanovskaya N. et al., Оптика и спектроскопия 2026 Т. 134 № 3 С. 272–277
Представлены результаты по реализации генерации при повышенных температурах в лазерах с длиной волны генерации 980 nm на основе вертикального микрорезонатора с использованием непоглощающих на длине волны оптической накачки зеркал. Минимальная пороговая мощность накачки составила ~0.8 mW и соответствовала температуре 150 K. Добротность микрорезонатора, определенная на пороге генерации, превысила 13000. Максимальная рабочая температура микролазера составила 195 ...
Added: September 25, 2026
Бабичев А. В., Makhov I., Kryzhanovskaya N. et al., Письма в Журнал технической физики 2026 Т. 52 № 12 С. 40–43
Реализована одночастотная генерация при 300 K в лазерах на основе вертикального микрорезонатора. Для лазеров с полупроводниковым выводным зеркалом пороговая плотность мощности накачки составила 6.5 kW/cm2. Добротность микрорезонатора и длина волны излучения, определенные на пороге генерации, равнялись 8800 и ~ 959.8 nm. Применение конструкции микрорезонатора с гибридным выводным зеркалом позволило повысить добротность микрорезонатора (до 12 360) ...
Added: September 25, 2026
Бабичев А. В., Makhov I., Kryzhanovskaya N. et al., Письма в Журнал технической физики 2026 Т. 52 № 18 С. 30–34
Представлены результаты реализации генерации при комнатной температуре в планарных вертикальных микрорезонаторах на основе зеркал Al0.2Ga0.8As/Al0.9Ga0.1As. При 300 K пороговая плотность мощности и добротность на пороге генерации составили 11.4± 0.7 kW/cm2 и 5070± 160 соответственно. Двукратное превышение порога генерации привело к увеличению добротности микрорезонатора до 19 000. Эффективный латеральный теплоотвод подтвержден малым сдвигом энергии кванта, который составил ...
Added: September 25, 2026
Budkov Y., Kiselev M. G., Journal of Chemical Physics 2026 Vol. 165 No. 12 Article 124508
We develop a three-mode statistical-mechanical theory for a two-conformer
solute in a near-critical solvent. A compressible lattice model with
vacancies yields the Gaussian free-energy functional for a critical conserved
density, an orthogonal noncritical conserved mode, and the local conformer
fraction. Their couplings follow from packing and cohesive interactions,
rather than being introduced phenomenologically. Kawasaki transport of the
two conserved fields and ...
Added: September 24, 2026
Yurova P., Stenina I., Yaroslavtsev A. B., Membranes and Membrane Technologies 2026 Vol. 8 No. 1 P. 1–8
In this work, the effect of applying layers of polyethyleneimines with different molecular weights
(1300 and 25000 Da), polystyrene sulfonic acid or sodium polyacrylate on the surface of the heterogeneous
membrane MK-40 on the selectivity to singly charged ions was investigated. It is shown that the modification
leads to an increase in the selectivity coefficients P(Na+/Ca2+) and P(Li+/Mg2+), ...
Added: September 24, 2026
Kryzhanovskaya N., Makhov I., Dragunova A., St. Petersburg Polytechnical University Journal: Physics and Mathematics 2026 Vol. 19 No. 1.1 P. 98–104
The planar microcavity structure was grown using molecular-beam epitaxy.
Single-mode lasing was observed at a wavelength of 960 nm for pillars with a diameter of
15 μm. At 300 K, the lasing threshold was approximately 30 mW. Increasing the pump
power to 2.7 times the threshold power resulted in a mode energy shift of approximately
1 meV. This shift ...
Added: September 23, 2026
Andreeva S., Gavrilov A. A., Dzhikirba K. R. et al., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 Article 134515
We examine plasma excitations with linear dispersion in a system of superconducting electrons in thin
NbN disks. Using frequency-domain terahertz spectroscopy, we study the evolution of plasmons up to critical
temperature Tc. The observed excitations tend to shift to the lower frequencies while temperature is increasing
and the spectral features vanish at T > Tc. We study the ...
Added: September 23, 2026
Образцова А. А., Ivanov K., Moiseev E. et al., Journal of Physics D: Applied Physics 2026 Vol. 59 No. 30 P. 305103
We demonstrate a thermo-optically tunable microlaser based on an InGaAs/GaAs quantum-dot (QD) active region employing a deformed limaçon-shaped cavity. The asymmetric geometry effectively lifts the degeneracy of high-Q whispering-gallery modes, enabling single-mode lasing. A side-mode suppression ratio exceeds 25 dB over a wide current range. Under continuous-wave electrical pumping, the device achieves a peak output power ...
Added: September 23, 2026
Budkov Y., Journal of Chemical Physics 2026 Vol. 165 No. 12 Article 124105
Exact theories of electrolyte structure must satisfy the nonlocal constraints imposed by electrostatic screening, yet these constraints are most commonly formulated only for homogeneous bulk systems and at the level of two-point correlations. Here, we develop a unified field-theoretic framework that extends them to general inhomogeneous ionic fluids and nonlinear charge correlations. Using a standard ...
Added: September 22, 2026
Боровицкая И. В., Пименов В. Н., Коршунов С. Н. et al., Перспективные материалы 2026 № 10 С. 37–54
Проведено сравнение, обобщение и систематизация механизмов эрозии и разрушения
поверхности малоактивируемых материалов, перспективных для использования в
качестве материалов вакуумной камеры термоядерных реакторов: ванадия, его сплава
V – 10 Ti – 6 Cr – 0,05 Zr – 0,1 Si и вольфрама при последовательном воздействии на
них ионных и тепловых потоков. Тепловые потоки имитировали с помощью мощного
импульсного лазерного излучения (ЛИ), создаваемого ...
Added: September 22, 2026
Iontsev M.A., Mukhin S. I., Fistul M. V., Physical Review B: Condensed Matter and Materials Physics 2016 Vol. 94 No. 17 P. 174–510
We report a theoretical study of the ac response of superconducting quantum metamaterials (SQMs), i.e., an array of qubits (two-level systems) embedded in a low-dissipative resonator. By making use of a particular example of a SQM, namely the array of charge qubits capacitively coupled to the resonator, we obtain a second-order phase transition between an ...
Added: September 22, 2026
Shilov A. L., Elesin L., Kravtsov M. et al., Nature Communications 2026 Vol. 17 No. 1 Article 9734
Identifying the microscopic processes limiting conductivity is essential for understanding correlated quantum materials. In twisted bilayer graphene, metallic resistivity follows ρ ~ Tα with widely varying α, fueling competing interpretations from phonon-limited transport and umklapp scattering to strange metallicity and heavy-fermion renormalization. Here, we use terahertz excitation to selectively heat electrons while keeping the lattice cold, separating ...
Added: September 20, 2026
D.L. Gurina, Fashchevsky K. A., Oparin R. D. et al., Surfaces and Interfaces 2026 Vol. 98 Article 110545
In this work, we combine experimental characterization and molecular dynamics (MD) simulations to elucidate the molecular mechanisms governing the impregnation of mefenamic acid (MFA) into nanocrystalline cellulose (NCC) aerogels. NCC aerogels were impregnated with MFA in scCO2, and low-temperature nitrogen adsorption revealed a concentration-dependent decrease in surface area, pore volume, and pore size, with an ...
Added: September 8, 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
Gurina D., Fashchevsky K. A., Budkov Y. et al., Journal of Molecular Liquids 2026 Vol. 448 Article 129401
Classical and ab initio molecular dynamics (MD) simulations were employed to investigate the solvation and sorption behavior of mefenamic acid (MFA) molecules in supercritical CO2 (scCO2) and scCO2/cellobiose systems. Using classical MD with alchemical transformation, the Gibbs free energy of solvation (ΔGsolv) for four stable MFA conformers in scCO2 was calculated along the isochores ρ = 1.1ρc and ρ = 1.69ρc over a temperature range ...
Added: February 25, 2026
Ekaterina G. Odintsova, Darya L. Gurina, Yury A. Budkov, Colloids and Surfaces A: Physicochemical and Engineering Aspects 2026 Vol. 736 Article 139693
The behavior of water under nanoscale confinement is crucial for numerous technologies; yet predicting its
properties remains challenging due to the complex interplay of pore geometry and surface chemistry. While the
influence of general hydrophilicity is recognized, the specific role of the flexibility of surface functional groups - a
key molecular-scale feature - has remained underexplored. To address ...
Added: January 24, 2026
Gurina D., Budkov Y., Colloids and Surfaces A: Physicochemical and Engineering Aspects 2026 Vol. 733 Article 139276
Molecular dynamics (MD) simulations were employed to investigate the solubilization of gallic acid (GA) and quercetin (QCTN) in water reverse micelles (RMs) stabilized by sodium bis(2-ethylhexyl) sulfosuccinate (AOT) in isooctane, carbon tetrachloride (CCl4), and supercritical carbon dioxide (scCO2). The results revealed distinct solvent-dependent RM morphologies: ellipsoidal and near-spherical in isooctane, near-spherical in CCl4, and elongated, ...
Added: December 17, 2025
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
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