Salt-Controlled Vertical Segregation of Mixed Polymer Brushes.

Using the self-consistent field approach, we studied the salt-controlled vertical segregation of mixed polymer brushes immersed into a selective solvent. We considered brushes containing two types of chains: polyelectrolyte (charged) chains and neutral chains. The hydrophobicity of both types of chains is characterized by the Flory-Huggins parameters χC and χN, respectively.

Surface acoustic waves in the continuous spectrum of Bloch waves in piezoelectric one-dimensional phononic crystals.

This paper theoretically investigates surface acoustic waves (SAWs) which emerge within the continuous spectrum of bulk Bloch waves in piezoelectric one-dimensional phononic crystals. Accordingly, these SAWs may be treated as an example of the bound states in the continuum (BIC). The equations which determine the existence of such BIC-SAWs have been derived.

Chains Stiffness Effect on the Vertical Segregation of Mixed Polymer Brushes in Selective Solvent.

The microstructure of the binary polymer brushes in the selective solvent was studied using the numerical lattice self-consisting field approach. The case was considered when the selectivity to the solvent (the Flory-Huggins parameter χ) was varied only for one type of chains (responsive chains) while the others (non-responsive chains) remained hydrophilic (χ = 0). In such a brush, with an increase in the hydrophobicity of the responsive chains, a transition occurs between two two-layer microstructures.

Hybrid Molecules Consisting of Lysine Dendrons with Several Hydrophobic Tails: A SCF Study of Self-Assembling.

In this article, we used the numerical self-consistent field method of Scheutjens-Fleer to study the micellization of hybrid molecules consisting of one polylysine dendron with charged end groups and several linear hydrophobic tails attached to its root. The main attention was paid to spherical micelles and the determination of the range of parameters at which they can appear. A relationship has been established between the size and internal structure of the resulting spherical micelles and the length and number of hydrophobic tails, as well as the number of dendron generations.

Stability of DMPC Liposomes Externally Conjugated with Branched Polyglycerol.

Vesicles formed by DMPC liposomes externally conjugated with branched polyglycerol-dendrons as well as linear PEG in water solution were simulated using the DPD method. Such a structure of vesicles corresponds to the structure of polymer-grafted liposomes obtained experimentally by the post-insertion method, in which polymer chains are fixed on the outer surface of the liposome. The grafting density, generation number and spacer length of grafted dendrons were varied.

Three-dimensional heating and patterning dynamics of particles in microscale acoustic tweezers.

Acoustic tweezers facilitate a noninvasive, contactless, and label-free method for the precise manipulation of micro objects, including biological cells. Although cells are exposed to mechanical and thermal stress, acoustic tweezers are usually considered as biocompatible. Here, we present a holistic experimental approach to reveal the correlation between acoustic fields, acoustophoretic motion and heating effects of particles induced by an acoustic tweezer setup.

The Structure of Dipolar Polymer Brushes and Their Interaction in the Melt. Impact of Chain Stiffness.

By using the numerical lattice Scheutjens-Fleer self-consistent field (SF-SCF) method we have studied the effect of the restricted flexibility of grafted chains on the structure and mutual interaction of two opposing planar conventional and A-type dipolar brushes. Brushes are immersed in the solvent consisting of chains similar to the grafted ones. The increase of the chain rigidity enhances the segregation of grafted chains in a A-type dipolar brush into two populations: backfolded chains with terminal monomers near the grafting surface and chains with the ends at the brush periphery.

Stoneley-type waves in anisotropic periodic superlattices.

The paper investigates the existence of interfacial (Stoneley-type) acoustic waves localised at the internal boundary between two semi-infinite superlattices which are adjoined with each other to form one-dimensional phononic bicrystal. Each superlattice is a periodic sequence of perfectly bonded homogeneous and/or functionally graded layers of general anisotropy. Given any asymmetric arrangement of unit cells (periods) of superlattices, it is found that the maximum number of interfacial waves, which can emerge at a fixed tangential wavenumber for the frequency varying within a stopband, is three for the lowest stopband and six for any upper stopband.

Experimental and numerical investigations of mechanical displacements in surface acoustic wave bounded beams.

The present paper studies experimentally and numerically the surface acoustic wave (SAW) field on a piezoelectric substrate generated by interdigital transducers (IDT). On the one hand, mechanical displacements produced by the SAW are measured with the help of a laser Doppler vibrometer. On the other hand, mechanical displacements are computed by the two-dimensional finite element method in frequency domain followed by the spatial Fourier transform.

Cascades of unfolding transitions in amphiphilic molecular brushes.

Using a combination of self-consistent field theory with coarse-grained Brownian dynamics simulations, we studied mechanical unfolding of an amphiphilic molecular brush in a solvent that was poor for the side chains but good for the main chain of the brush. In striking contrast to earlier theoretical predictions [O. V.

Interfacial acoustic waves in one-dimensional anisotropic phononic bicrystals with a symmetric unit cell.

The paper is concerned with the interfacial acoustic waves localized at the internal boundary of two different perfectly bonded semi-infinite one-dimensional phononic crystals represented by periodically layered or functionally graded elastic structures. The unit cell is assumed symmetric relative to its midplane, whereas the constituent materials may be of arbitrary anisotropy. The issue of the maximum possible number of interfacial waves per full stop band of a phononic bicrystal is investigated.

Non-leaky surface acoustic waves in the passbands of one-dimensional phononic crystals.

The paper theoretically investigates the occurrence of non-leaky surface acoustic waves (SAWs) in the passbands of the Floquet-Bloch spectra of half-infinite one-dimensional phononic crystals. The phononic crystal is represented by a periodic structure of perfectly bonded anisotropic elastic layers. The traction-free boundary plane truncates the phononic crystal at the edge of a period.

Self-Assembly of Lysine-Based Dendritic Surfactants Modeled by the Self-Consistent Field Approach.

Implementing a united atom model, we apply self-consistent field theory to study structure and thermodynamic properties of spherical micelles composed of surfactants that combine an alkyl tail with a charged lysine-based dendritic headgroup. Following experiments, the focus was on dendron surfactants with varying tail length and dendron generations G0, G1, G2. The heads are subject to acetylation modification which reduces the charge and hydrophilicity.

FE analysis of surface acoustic wave transmission in composite piezoelectric wedge structures.

The paper numerically investigates the transmission of harmonic surface acoustic waves (SAWs) across the perfectly bonded and perfectly sliding contacts between two 90°-wedges, at least one of which possessing piezoelectric properties. The finite element method in frequency domain is used. The structures are constructed of lithium niobate, fused quartz, silicon and gallium arsenide.

Acoustomicrofluidic application of quasi-shear surface waves.

The paper analyzes the possibility of using predominantly boundary polarized surface acoustic waves for actuating fluidic effects in microchannels fabricated inside containers made of PDMS. The aim is to remove a shortcoming peculiar to conventionally utilized predominantly vertically polarized waves. Such waves strongly attenuate while they propagate under container side walls because of the leakage into them.

Finite element analysis of the Rayleigh wave scattering in isotropic bi-material wedge structures.

The numerical study is performed of the harmonic Rayleigh wave scattering in a composite structure constructed from two elastically isotropic 90°-wedges. These wedges are in contact along one pair of their faces. It is assumed that either the perfectly sliding contact or the perfectly rigid one is realized.

Is the manifestation of the local dynamics in the spin-lattice NMR relaxation in dendrimers sensitive to excluded volume interactions?

The effect of excluded volume (EV) interactions on the manifestation of the local dynamics in the spin-lattice NMR relaxation in dendrimers has been studied by using Brownian dynamics simulations. The study was motivated by the theory developed by Markelov et al., [J.

Computation of the pressure field generated by surface acoustic waves in microchannels.

The high-frequency pressure induced by a surface acoustic wave in the fluid filling a microchannel is computed by solving the full scattering problem. The microchannel is fabricated inside a container attached to the top of a piezoelectric substrate where the surface wave propagates. The finite element method is used.

Persistence length of dendronized polymers: the self-consistent field theory.

We present numerical results for the thermodynamic rigidity and induced persistence length of dendronized polymers with systematically varied topology of their grafts obtained by the Scheutjens-Fleer self-consistent field method. The results were compared to predictions of an analytical mean-field theory. The two approaches have marked different predictions.

Bulk longitudinal wave reflection/transmission in periodic piezoelectric structures with metallized interfaces.

A theoretical study is performed of the bulk acoustic wave propagation in periodic piezoelectric structures with metallized interperiod boundaries. A crucial specific feature of such structures is that the bounded acoustic beam incident perpendicular to an interface can generate scattered (i.e.

Tunable effective constants of the one-dimensional piezoelectric phononic crystal with internal connected electrodes.

One-dimensional propagation of a longitudinal wave through an infinite piezoelectric periodically layered structure is considered. The unit cell consists, in general, of piezoelectric multilayers separated by thin electrodes which are connected through a capacitor with capacity Cj that plays the role of the external electric control providing tunability of the mechanical properties. The main focus of the present study is on the effective properties characterizing the homogenized medium.

Molecular dynamics simulation of spin-lattice NMR relaxation in poly-L-lysine dendrimers: manifestation of the semiflexibility effect.

NMR relaxation experiments are widely used to investigate the local orientation mobility in dendrimers. In particular, the NMR method allows one to measure the spin-lattice relaxation rate, 1/T1, which is connected with the orientational autocorrelation function (ACF) of NMR active groups. We calculate the temperature (Θ) and frequency (ω) dependences of the spin-lattice NMR relaxation rates for segments and NMR active CH2 groups in poly-L-lysine (PLL) dendrimers in water, on the basis of full-atomic molecular dynamics simulations.

Surface acoustic wave reflection/transmission at vertical borders of piezoelectric substrates.

The paper studies by the finite element method the harmonic surface acoustic wave scattering at 90° corners of piezoelectric substrates. The SAW is incident perpendicular to the vertical border. The dependencies of the reflection and transmission coefficient on the radius of the fillet at the corner are found for 128°YX and YZ LiNbO3 as well as ST-X SiO2 substrates.

Rayleigh wave scattering from a vertical edge of isotropic substrates.

The paper numerically studies the harmonic Rayleigh wave scattering at the 90-degree corner of isotropic substrate. The finite element method is used. The main attention is paid to two cases.

Are structural properties of dendrimers sensitive to the symmetry of branching? Computer simulation of lysine dendrimers.

Poly-L-lysine (PLL) dendrimers are promising systems for biomedical applications due to their biocompatibility. These dendrimers have a specific topology: two spacers of different lengths come out of each branching point and thus the branching is asymmetric. Because of this asymmetry terminal groups are located at branches of different lengths, unlike dendrimers with a symmetric branching.