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Scattering of terahertz (THz) radiation is considered to be a significant problem for many applications, since it has often multiple character and is followed by interference effects. We present the computational results of THz propagation through scattering layers, obtained by using Monte Carlo simulation scheme of radiation transfer. Dense package of particles is considered for enhancing the influence of structure factor. Interference effects are shown to play an essential role for scattering phase function and scattering angular distribution of THz radiance. [ABSTRACT FROM AUTHOR]

Experimental and numerical results for second harmonic generation (SHG) in photonic crystal (PC) based on NaNO2-infiltrated opal matrix are presented. SHG is performed in reflection mode; thus, the direction of the SHG maximum is equal to the angle of mirror reflection. The PC was pumped with femtosecond optical pulses at different angles of incidence, allowing the dependence of the SHG efficiency on the location of the fundamental wavelength toward the PC band gap (BG) to be examined. The most efficient SHG was observed when pumping the BG of the PC. To interpret the experimental results, finite-difference time-domain numerical simulations of the light interaction with the PC were conducted. The observed effect of highly efficient SHG is associated with structural light focusing, and, as a consequence, with strong optical field localization within certain near-surface PC regions. Thus, SHG enhancement based on structural light focusing in PC was demonstrated. [ABSTRACT FROM AUTHOR]

• Torrefaction of wood in a quiescent layer of bentonite. • Hydrophobicity of torrefied wood sample is evaluated by contact angle. • The hydrophobicity of biofuel increases with temperature. • Porosity of the biofuel affects the contact angle. Torrefaction is widely employed to improve the characteristics of wood for using it as a fuel. One of the possible ways of torrefaction is heating of biomass in a quiescent layer of mineral filler. In this paper the effect of the parameters of the torrefaction process in a quiescent bentonite layer on the hydrophobization of wood (pine, oak, poplar, and rowan tree) is experimentally studied. The hydrophobic properties of biofuels are evaluated by measuring the contact angle. However, the value of this parameter for biofuel depends not only on the hydrophobicity of the surface but also on its porosity. Therefore, the value of the contact angle for a smooth surface was estimated by using the method proposed by Liptakova and Kudela. It is found that torrefied pine has the largest hydrophobicity in comparison with oak, poplar, and rowan tree. The hydrophobicity of biofuel increases with the torrefaction temperature and holding time and decreases with the height of the bentonite layer in the reactor. The contact angle depends on the mass yield as c o n t a c t a n g l e o = 316 - 549 ∙ m a s s y i e l d + 289 ∙ m a s s y i e l d 2. The hydrophobicity of biofuels increases as the content of oxidized compounds becomes higher. The surface free energy is estimated by using the Owens-Wendt method. It is demonstrated that the dispersive component of surface free energy rises, while a polar component decreases in the process of torrefaction. The critical surface energy is estimated via Zisman method. It is established that after torrefaction its value increases with the decrease in the height of mineral layer. [ABSTRACT FROM AUTHOR]

Although the understanding of excitation spectra in fluids is of great importance, it is still unclear how different methods of spectral analysis agree with each other and which of them is suitable in a wide range of parameters. Here, we show that the problem can be solved using a two-oscillator model to analyze total velocity current spectra, while other considered methods, including analysis of the spectral maxima and single mode analysis, yield rough results and become unsuitable at high temperatures and wavenumbers. To prove this, we perform molecular dynamics (MD) simulations and calculate excitation spectra in Lennard-Jones and inverse-power-law fluids at different temperatures, both in 3D and 2D cases. Then, we analyze relations between thermodynamic and dynamic features of fluids at (Frenkel) crossover from a liquid- to gas-like state and find that they agree with each other in the 3D case and strongly disagree in 2D systems due to enhanced anharmonicity effects. The results provide a significant advance in methods for detail analysis of collective fluid dynamics spanning fields from soft condensed matter to strongly coupled plasmas. [ABSTRACT FROM AUTHOR]

The rotational dynamics of microparticles in liquids have a wide range of applications, including chemical microreactors, biotechnologies, microfluidic devices, tunable heat and mass transfer, and fundamental understanding of chiral active soft matter which refers to systems composed of particles that exhibit a handedness in their rotation, breaking mirror symmetry at the microscopic level. Here, we report on the study of two effects in colloids in rotating electric fields: (i) the rotation of individual colloidal particles in rotating electric field and related to that (ii) precession of pairs of particles. We show that the mechanism responsible for the rotation of individual particles is related to the time lag between the external field applied to the particle and the particle polarization. Using numerical simulations and experiments with silica particles in a water-based solvent, we prove that the observed rotation of particle pairs and triplets is governed by the tunable rotation of individual particles and can be explained and described by the action of hydrodynamic forces. Our findings demonstrate that colloidal suspensions in rotating electric fields, under some conditions, represent a novel class of chiral soft active matter-tunable colloidal spinners. The experiments and the corresponding theoretical framework we developed open novel prospects for future studies of these systems and for their potential applications., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

Astrocytes are glycolytically active cells in the central nervous system playing a crucial role in various brain processes from homeostasis to neurotransmission. Astrocytes possess a complex branched morphology, frequently examined by fluorescent microscopy. However, staining and fixation may impact the properties of astrocytes, thereby affecting the accuracy of the experimental data of astrocytes dynamics and morphology. On the other hand, phase contrast microscopy can be used to study astrocytes morphology without affecting them, but the post-processing of the resulting low-contrast images is challenging. The main result of this work is a novel approach for recognition and morphological analysis of unstained astrocytes based on machine-learning recognition of microscopic images. We conducted a series of experiments involving the cultivation of isolated astrocytes from the rat brain cortex followed by microscopy. Using the proposed approach, we tracked the temporal evolution of the average total length of branches, branching, and area per astrocyte in our experiments. We believe that the proposed approach and the obtained experimental data will be of interest and benefit to the scientific communities in cell biology, biophysics, and machine learning., (© 2024. The Author(s).)

In vitro modeling of brain tissue is a promising but not yet resolved problem in modern neurobiology and neuropharmacology. Complexity of the brain structure and diversity of cell-to-cell communication in (patho)physiological conditions make this task almost unachievable. However, establishment of novel in vitro brain models would ultimately lead to better understanding of development-associated or experience-driven brain plasticity, designing efficient approaches to restore aberrant brain functioning. The main goal of this review is to summarize the available data on methodological approaches that are currently in use, and to identify the most prospective trends in development of neurovascular unit, blood-brain barrier, blood-cerebrospinal fluid barrier, and neurogenic niche in vitro models. The manuscript focuses on the regulation of adult neurogenesis, cerebral microcirculation and fluids dynamics that should be reproduced in the in vitro 4D models to mimic brain development and its alterations in brain pathology. We discuss approaches that are critical for studying brain plasticity, deciphering the individual person-specific trajectory of brain development and aging, and testing new drug candidates in the in vitro models., Competing Interests: The author(s) declared no potential conflicts of interest with respect to the research, authorship, and/or publication of this article., (© The Author(s) 2024.)

Swarming behavior in systems of self-propelled particles, whether biological or artificial, has received increased attention in recent years. Here, we show that even a small number of particles with anomalous behavior can change dramatically collective dynamics of the swarming system and can impose unusual behavior and transitions between dynamic states. Our results pave the way to practical approaches and concepts of multiagent dynamics in groups of flocking animals: birds, insects, and fish, i.e., active and living soft matter.

The effects of inertia in active matter and motility-induced phase separation (MIPS) have attracted growing interest but still remain poorly studied. We studied MIPS behavior in the Langevin dynamics across a broad range of particle activity and damping rate values with molecular dynamic simulations. Here we show that the MIPS stability region across particle activity values consists of several domains separated by discontinuous or sharp changes in susceptibility of mean kinetic energy. These domain boundaries have fingerprints in the system's kinetic energy fluctuations and characteristics of gas, liquid, and solid subphases, such as the number of particles, densities, or the power of energy release due to activity. The observed domain cascade is most stable at intermediate damping rates but loses its distinctness in the Brownian limit or vanishes along with phase separation at lower damping values.

Self-diffusion in fluids has been thoroughly studied numerically, but even for simple liquids just a few scaling relationships are known. Relations between diffusion, excitation spectra, and character of the interparticle interactions remain poorly understood. Here, we show that diffusion mobility of particles in simple fluids increases linearly on the liquid branch of the liquid-gas binodal, from the triple point almost up to the critical point. With molecular dynamics simulations, we considered bulk systems of particles interacting via a generalised Lennard-Jones potential, as well as ethane. Using a two-oscillator model for the analysis of excitations, we observed that the mobility (inverse diffusion) coefficient on the liquid-gas binodal increases linearly above the triple point until the dispersion of high-frequency spectra has a solid-like (oscillating) shape. In terms of a separate mode analysis (of longitudinal and transverse modes), this corresponds to crossed modes in the intermediate range of wavenumbers q, between the hydrodynamic regime (small q) and the regime of individual particle motion (large q). The results should be interesting for a broad community in physics and chemistry of fluids, since self-diffusion is among the most fundamental transport phenomena, important for prospective chemical technologies, micro-, nanofluidics, and biotechnologies., (© 2023. The Author(s).)

Coupled oscillators are one of the basic models in nonlinear dynamics. Here, we study numerically and analytically the spectra of two harmonic oscillators with stochastically fluctuating coupling and driving forces reproducing a thermostat. We show that, even at small coupling, vanishing on average, the oscillation spectra exhibit mixing, even though no cross-correlations exists between the oscillators. Our results reveal a new mechanism of mode mixing for stochastically uncorrelated systems that is crucial for analysis of spectra in various systems, from simple liquids to living systems.

Monolayer and two-dimensional (2D) systems exhibit rich phase behavior, compared with 3D systems, in particular, due to the hexatic phase playing a central role in melting scenarios. The attraction range is known to affect critical gas-liquid behavior (liquid-liquid in protein and colloidal systems), but the effect of attraction on melting in 2D systems remains unstudied systematically. Here, we have revealed how the attraction range affects the phase diagrams and melting scenarios in a 2D system. Using molecular dynamics simulations, we have considered the generalized Lennard-Jones system with a fixed repulsion branch and different power indices of attraction from long-range dipolar to short-range sticky-sphere-like. A drop in the attraction range has been found to reduce the temperature of the gas-liquid critical point, bringing it closer to the gas-liquid-solid triple point. At high temperatures, attraction does not affect the melting scenario that proceeds through the cascade of solid-hexatic (Berezinskii-Kosterlitz-Thouless) and hexatic-liquid (first-order) phase transitions. In the case of dipolar attraction, we have observed two triple points inherent in a 2D system: hexatic-liquid-gas and crystal-hexatic-gas, the temperature of the crystal-hexatic-gas triple point is below the hexatic-liquid-gas triple point. This observation may have far-reaching consequences for future studies, since phase diagrams determine possible routes of self-assembly in molecular, protein, and colloidal systems, whereas the attraction range can be adjusted with complex solvents and external electric or magnetic fields. The results obtained may be widely used in condensed matter, chemical physics, materials science, and soft matter.

Many-body forces play a prominent role in structure and dynamics of matter, but their role is not well understood in many cases due to experimental challenges. Here, we demonstrate that a novel experimental system based on rotating electric fields can be utilised to deliver unprecedented degree of control over many-body interactions between colloidal silica particles in water. We further show that we can decompose interparticle interactions explicitly into the leading terms and study their specific effects on phase behaviour. We found that three-body interactions exert critical influence over the phase diagram domain boundaries, including liquid-gas binodal, critical and triple points. Phase transitions are shown to be reversible and fully controlled by the magnitude of external rotating electric field governing the tunable interactions. Our results demonstrate that colloidal systems in rotating electric fields are a unique laboratory to study the role of many-body interactions in physics of phase transitions and in applications, such as self-assembly, offering exciting opportunities for studying generic phenomena inherent to liquids and solids, from atomic to protein and colloidal systems., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2021 Elsevier Inc. All rights reserved.)

Among different thermodynamic properties of liquids, the entropy is one of the hardest quantities to estimate. Therefore, the development of models allowing accurate estimations of the entropy for different mechanisms of interatomic interactions represents an important problem. Here, we propose a method for estimating the excess entropy of simple liquids not too far from the liquid-solid phase transition. The method represents a variant of cell theory, which particularly emphasizes relations between liquid state thermodynamics and collective modes properties. The method is applied to calculate the excess entropy of inverse-power-law fluids with ∝r -n repulsive interactions. The covered range of potential softness is extremely wide, including the very soft Coulomb (n = 1) case, much steeper n = 6 and n = 12 cases, and the opposite hard-sphere interaction limit (n = ∞). An overall reasonably good agreement between the method's outcome and existing "exact" results is documented at sufficiently high fluid densities. Its applicability condition can be conveniently formulated in terms of the excess entropy itself. The method is also applied to the Lennard-Jones potential but demonstrates considerably lower accuracy in this case. Our results should be relevant to a broad range of liquid systems that can be described with isotropic repulsive interactions, including liquid metals, macromolecular systems, globular proteins, and colloidal suspensions.

Anisotropic particles are widely presented in nature, from colloidal to bacterial systems, and control over their interactions is of crucial importance for many applications, from self-assembly of novel materials to microfluidics. Placed in rapidly rotating external electric fields, colloidal particles attain a tunable long-range and many-body part in their interactions. For spherical colloids, this approach has been shown to offer rich capabilities to construct the tunable interactions via designing the internal structure of particles and spatial hodographs of external rotating fields, but in the case of anisotropic particles, the interactions remain poorly understood. Here, we show that tunable interactions between anisotropic rod-like and spheroidal colloidal particles in rotating electric or magnetic fields can be calculated and analyzed with the diagrammatic technique we developed in the present work. With this technique, we considered an in-plane rotating electric field, obtained the long-range asymptotics of the anisotropic interactions, calculated the tunable interactions between particles rotating synchronously, and found conditions for rotator repulsion. We compared the mechanisms providing tunable interactions to those for orientational (Keesom), induction (Debye), and dispersion (London) interactions in molecular systems and found that the tunable interactions between anisotropic particles represent a novel kind of dipole-like interaction. The method can be directly generalized for magnetically induced interactions, 3D systems, and fields with spatial hodographs. The results provide significant advance in theoretical methods for tunable interactions in colloids and, therefore, are of broad interest in condensed matter, chemical physics, physical chemistry, materials science, and soft matter.

Melting is one of the most studied phase transitions important for atomic, molecular, colloidal, and protein systems. However, there is currently no microscopic experimentally accessible criteria that can be used to reliably track a system evolution across the transition, while providing insights into melting nucleation and melting front evolution. To address this, we developed a theoretical mean-field framework with the normalised mean-square displacement between particles in neighbouring Voronoi cells serving as the local order parameter, measurable experimentally. We tested the framework in a number of colloidal and in silico particle-resolved experiments against systems with significantly different (Brownian and Newtonian) dynamic regimes and found that it provides excellent description of system evolution across melting point. This new approach suggests a broad scope for application in diverse areas of science from materials through to biology and beyond. Consequently, the results of this work provide a new guidance for nucleation theory of melting and are of broad interest in condensed matter, chemical physics, physical chemistry, materials science, and soft matter., (© 2021. The Author(s).)

Tunable interactions between colloidal particles, governed by external rotating electric or magnetic fields, yield rich capabilities for prospective self-assembly technologies of materials and fundamental particle-resolved studies of phase transitions and transport phenomena in soft matter. However, the role of the internal structure of colloidal particles in the tunable interactions has never been systematically investigated. Here, we study the tunable interactions between composite particles with core-shell structure in a rotating electric field and show that the engineering of their internal structure provides an effective tool for designing the interactions. We generalized an integral theory and studied the tunable interactions between core-shell particles with homogeneous cores (layered particles) and cores with nano-inclusions to reveal the main trends in the interactions influenced by the structure. We found that depending on the materials of the core, shell, and solvent, the interactions with the attractive pairwise part and positive or negative three-body part can be obtained, as well as pairwise repulsion with attractive three-body interactions (for triangular triplets). The latter case is observed for the first time, being unattainable for homogeneous particles but feasible with core-shell particles: Qualitatively similar interactions are inherent to charged colloids (repulsive pairwise and attractive three-body energies), known as a model system of globular proteins. The methods and conclusions of our paper can be generalized for magnetic and 3D colloidal systems. The results make a significant advance in the analysis of tunable interactions in colloidal systems, which are of broad interest in condensed matter, chemical physics, physical chemistry, materials science, and soft matter.

The effect of particle activity on collective excitations in active fluids of microflyers is studied. With an in silico study, we observed an oscillating breakdown of equipartition (uniform spectral distribution) of kinetic energy in reciprocal space. The phenomenon is related to short-range velocity-velocity correlations that were realized without forming of long-lived mesoscale vortices in the system. This stands in contrast to well-known mesoscale turbulence operating in active nematic systems (bacterial or artificial) and reveals the features of collective dynamics in active fluids, which should be important for structural transitions and glassy dynamics in active matter.

Tunable interactions in colloids, induced by rotating electric or magnetic fields, provide a flexible and promising tool for self-assembly of soft materials, as well as for fundamental particle-resolved studies of phase transitions and other generic phenomena in condensed matter. In the case of two-dimensional systems and the in-plane rotating fields, the interactions are known to have a long-range (dipolar) attraction and an expressed three-body part at short distances, but still remain poorly understood. Here, we show that the interactions and polarization mechanisms governing the tunable interactions can be described, calculated, and analyzed in detail with the diagrammatic method we proposed. The diagrams yield a clear illustration of different polarization processes contributing to the Keesom, Debye, London, self, and external energies, classified in colloids similarly to intermolecular interactions. The real tunable interactions, obtained with the boundary element method, can be simply and accurately interpolated with the set of basis of the diagrams attributed to different physically clear polarization processes. Calculation of large-distance behavior and interpolation of the many-body interactions (and analysis of the leading mechanisms contributing to them) excellently illustrate that the diagrammatic method provides deep insights into the nature of tunable interactions. The method can be generalized for multicomponent systems, suspensions of particles with a composite structure and a complicated shape. The results provide significant advance in theoretical methods for detailed analysis of tunable interactions in colloids and, therefore, the method is of broad interest in condensed matter, chemical physics, physical chemistry, materials science, and soft matter.

Accurate analysis of pair correlations in condensed matter allows us to establish relations between structures and thermodynamic properties and, thus, is of high importance for a wide range of systems, from solids to colloidal suspensions. Recently, the interpolation method (IM) that describes satisfactorily the shape of pair correlation peaks at short and at long distances has been elaborated theoretically and using molecular dynamics simulations, but it has not been verified experimentally as yet. Here, we test the IM by particle-resolved studies with colloidal suspensions and with complex (dusty) plasmas and demonstrate that, owing to its high accuracy, the IM can be used to experimentally measure parameters that describe interaction between particles in these systems. We used three- and two-dimensional colloidal crystals and monolayer complex (dusty) plasma crystals to explore suitability of the IM in systems with soft to hard-sphere-like repulsion between particles. In addition to the systems with pairwise interactions, if many-body interactions can be mapped to the pairwise ones with some effective (e.g., density-dependent) parameters, the IM could be used to obtain these parameters. The results reliably show that the IM can be effectively used for analysis of pair correlations and interactions in a wide variety of systems and therefore is of broad interest in condensed matter, complex plasma, chemical physics, physical chemistry, materials science, and soft matter.

A simple practical approach to describe transverse (shear) waves in strongly-coupled Yukawa fluids is presented. Theoretical dispersion curves, based on hydrodynamic consideration, are shown to compare favorably with existing numerical results for plasma-related systems in the long-wavelength regime. The existence of a minimum wave number below which shear waves cannot propagate and its magnitude are properly accounted in the approach. The relevance of the approach beyond plasma-related Yukawa fluids is demonstrated by using experimental data on transverse excitations in liquid metals Fe, Cu, and Zn, obtained from inelastic x-ray scattering. Some potentially important relations, scalings, and quasi-universalities are discussed. The results should be interesting for a broad community in chemical physics, materials physics, physics of fluids and glassy state, complex (dusty) plasmas, and soft matter.

We study the phase diagram of a two-dimensional (2D) system of colloidal particles, interacting via an isotropic potential with a short-ranged Yukawa repulsion and a long-ranged dipolar attraction. Such interactions in 2D colloidal suspensions can be induced by rapidly rotating in-plane magnetic (or electric) fields. Using computer simulations and liquid integral equation theory, we calculate the bulk phase diagram, which contains gas, crystalline, liquid, and supercritical fluid phases. The densities at the critical and triple points in the phase diagram are governed by the softness of Yukawa repulsion and can therefore be largely tuned. We observe that the liquid-gas binodals exhibit universal behavior when the effective temperature (given by the inverse magnitude of the dipolar attractions) is normalized by its value at the critical point and the density is normalized by the squared Barker-Henderson diameter. The results can be verified in particle-resolved experiments with colloidal suspensions.

Molecular dynamics simulations have been performed to investigate in detail collective modes spectra of two-dimensional Coulomb fluids in a wide range of coupling. The obtained dispersion relations are compared with theoretical approaches based on quasi-crystalline approximation, also known as the quasi-localized charge approximation, in the plasma-related context. An overall satisfactory agreement between theory and simulations is documented for the longitudinal mode at moderate coupling and in the long-wavelength domain at strong coupling. For the transverse mode, satisfactory agreement in the long-wavelength domain is only reached at very strong coupling, when the cutoff wave-number below which shear waves cannot propagate becomes small. The dependence of the cutoff wave-number for shear waves on the coupling parameter is obtained.