Related papers: The properties of fully flexible Lennard-Jones cha…
We study the phase-diagram of a parity and time-reversal (PT) symmetric tight-binding chain with $N$ sites and hopping energy $J$, in the presence of two impurities with imaginary potentials $\pm i\gamma$ located at arbitrary (P-symmetric)…
Thermally-driven semi-crystalline polymer networks are capable to achieve both the one-way shape-memory effect and two-way shape-memory effect under stress and stress-free conditions, therefore representing an appealing class of polymers…
We simulate the assembly of DNA copolymers from two types of short duplexes (short double strands with a single-stranded overhang at each end), as described by the oxDNA model. We find that the statistics of chain lengths can be well…
The configurations taken by polymers embedded in out-of-equilibrium baths may have broad effects in a variety of biological systems. As such, they have attracted considerable interest, particularly in simulation studies. Here we analyze the…
The von Neumann entanglement entropy of exact valence-bond ground states is studied in two frustrated one-dimensional spin chains: the spin-1/2 Majumdar-Ghosh (MG) model and the spin-3/2 J1-J2-J3 chain in its fully dimerized (FD) and…
We study the spontaneous nucleation and crystallization of linear and cyclic chains of flexibly connected hard spheres using extensive molecular dynamics simulations. To this end, we present a novel event-driven molecular dynamics…
The competition between the connectivity and the local or global order in model fully-flexible chain molecules is investigated by molecular-dynamics simulations. States with both missing (melts) and high (crystal) global order are…
We present a Tight-Binding Molecular Dynamics investigation of the stability, the geometrical and the electronic structure of suspended monatomic transition metal chains. We show that linear and stable monatomic chains are formed at…
We study various temporal correlation functions of a tagged particle in one-dimensional systems of interacting point particles evolving with Hamiltonian dynamics. Initial conditions of the particles are chosen from the canonical thermal…
We construct the complete liquid crystal phase diagram of hard plate-like cylinders for variable aspect ratio using Onsager's second virial theory with the Parsons-Lee decoupling approximation to account for higher-body interactions in the…
The paper presents a short overview of the theoretical, numerical and experimental works on the critical behavior of a dilute polymer solution of long-flexible polymer chains confined in semi-infinite space restricted by a surface or in a…
We analyse the nature of the confinement of an infinitely long (and finite) linear semiflexible homo-polymer chain confined in between two geometrical constraints (A&B) under good solvent condition in two dimensions. The constraints are…
Nonlinear vibrations in strained monoatomic carbon chains are studied with the aid of ab initio methods based on the density functional theory. An unexpected phenomenon of structural transformation at the atomic level above a certain value…
We construct a family of integrable vertex model based on the typical four-dimensional representations of the quantum group deformation of the Lie superalgebra $sl(2|1)$. Upon alternation of such a representation with its dual this model…
We report the first observation of homogeneous crystallization in simulated high-dimensional ($d > 3$) liquids that follow physically realistic dynamics and have system sizes that are large enough to eliminate the possibility that…
Stability of solitons in parity-time (PT)-symmetric periodic potentials (optical lattices) is analyzed in both one- and two-dimensional systems. First we show analytically that when the strength of the gain-loss component in the PT lattice…
We determine transition probabilities in two exactly solvable multistate Landau-Zener (LZ) models and discuss applications of our results to the theory of dynamic passage through a phase transition in the dissipationless quantum mechanical…
We study the swelling of a flexible linear chain composed of active particles by analytical theory and computer simulation. Three different situations are considered: a free chain, a chain confined to an external harmonic trap, and a chain…
Using density-functional theory, we have analyzed the phase behavior of binary mixtures of hard rods of different lengths and diameters. Previous studies have shown a strong tendency of smectic phases of these mixtures to segregate and, in…
The dynamical correlations of a model consisting of particles constrained on the line and interacting with a nearest--neighbour Lennard--Jones potential are computed by molecular--dynamics simulations. A drastic qualitative change of the…