相关论文: Double Asymptotic Structures of Topologically Inte…
The present work continues our previous studies of pom-pom molecule [K. Haydukivska, O. Kalyuzhnyi, V. Blavatska, and J. Ilnytskyi, J. Mol. Liq. 328, 115456 (2021); Condens. Matter Phys. 25, 23302 (2022)]. The molecule consists of a linear…
Large scale molecular dynamics simulations on graphic processing units (GPUs) are employed to study the scaling behavior of ring polymers with various topological constraints in melts. Typical sizes of rings containing $3_1$, $5_1$ knots…
The electronic properties of macromolecular semiconductor thin films depend profoundly on their solid-state microstructure, which in turn is governed, among other things, by the processing conditions selected and the polymer chemical nature…
Current experimental and theoretical studies on the effect of intermolecular interactions on molecular conduction appear to be in conflict with each other. In particular, some experimental results, e.g., the observation of 2-dimensional…
We consider the simplest representative of the class of multiply branched polymer macromolecules, known as a pom-pom structure. The molecule consists of a backbone linear chain terminated by two branching points with functionalities…
The inter-molecular structure of semidilute polymer solutions is studied theoretically. The low density limit of a generalized Ornstein-Zernicke integral equation approach to polymeric liquids is considered. Scaling laws for the…
Topological Interlocking Structures (TIS) have been increasingly studied in the past two decades. However, some fundamental questions concerning the effects of Young's modulus and the friction coefficient on the structural mechanics of the…
We analyze the universal conformational properties of complex copolymer macromolecules, based on two topologies: the rosette structure containing $f_c$ linear branches and $f_r$ closed loops grafted to the central core, and the symmetric…
An exponential interaction is constructed so that one-dimensional atoms and chains of atoms mimic the general behavior of their three-dimensional counterparts. Relative to the more commonly used soft-Coulomb interaction, the exponential…
In this paper, we investigate information-theoretic scaling laws, independent from communication strategies, for point-to-point molecular communication, where it sends/receives information-encoded molecules between nanomachines. Since the…
Scaling describes how a given quantity $Y$ that characterizes a system varies with its size $P$. For most complex systems it is of the form $Y\sim P^\beta$ with a nontrivial value of the exponent $\beta$, usually determined by regression…
A delicate tension complicates the relationship between the topological magnetoelectric effect (TME) in three-dimensional (3D) $\mathbb{Z}_2$ topological insulators (TIs) and time-reversal symmetry (TRS). TRS underlies a particular…
Inferring properties of macroscopic solutions from molecular simulations is complicated by the limited size of systems that can be feasibly examined with a computer. When long-ranged electrostatic interactions are involved, the resulting…
Mechanically bonded membranes of interlocked ring polymers are a significant generalization of conventional elastic sheets, where connectivity is provided by covalent bonding, and represent a promising class of topological meta-materials.…
We investigate correlation effects in two dimensional topological insulators (TI). In the first part, we discuss finite size effects for interacting systems of different sizes in a ribbon geometry. For large systems, there are two pairs of…
Monte Carlo simulations are employed to investigate the surface growth generated by deposition of particles of different sizes on a substrate, in one and two dimensions. The particles have a linear form, and occupy an integer number of…
We explore semi-dilute and concentrated oligomers and polymers in a broad range of polymerization indices N ranging from 1 to a 100 and in a range of monomer number densities $\phi$ from 0.1 to 0.8 via molecular dynamics simulations and…
We study a one-parameter family of probability measures on lozenge tilings of large regular hexagons that interpolates between the uniform measure on all possible tilings and a particular fully frozen tiling. The description of the…
Synthetic copolymers and biopolymers, such as polypeptides and double-stranded DNA, often exhibit strong variations in bending stiffness along their contour, which can significantly impact conformational behavior at larger scales. To…
We present results of Monte Carlo study of the monomer-monomer correlation functions, static structure factor and asphericity characteristics of a single homopolymer in the coil and globular states for three distinct architectures of the…