相关论文: Ground-state properties of tubelike flexible polym…
The equations for strands of rigid charge configurations interacting nonlocally are formulated on the special Euclidean group, SE(3), which naturally generates helical conformations. Helical stationary shapes are found by minimizing the…
Topological constraints (TCs) between polymers determine the behaviour of complex fluids such as creams, oils and plastics. Most of the polymer solutions used every day life employ linear chains; their behaviour is accurately captured by…
Investigating thermodynamic properties of liquid-solid transitions of flexible homopolymers with elastic bonds by means of multicanonical Monte Carlo simulations, we find crystalline conformations that resemble ground-state structures of…
This paper discusses the topological and transport properties of binary heterostructures of different topological materials. The creation of multilayer devices is an alternative to building synthetic topological materials. By adjusting the…
States of self-stress, tensions and compressions of structural elements that result in zero net forces, play an important role in determining the load-bearing ability of structures ranging from bridges to metamaterials with tunable…
Through extensive Monte Carlo simulations, we systematically study the effect of chain stiffness on the packing ability of linear polymers composed of hard spheres in extremely confined monolayers, corresponding effectively to 2D films.…
Liquid crystals formed of bent-core molecules are exotic materials that exhibit the twist-bend nematic phase. This arises when an energetic preference for nonzero local bend distortion is accommodated via twist in the texture, resulting in…
The inherent structure landscape for a system of hard spheres confined to a hard cylindrical channel, such that spheres can only contact their first and second neighbours, is studied using an analytical model that extends previous results…
The equilibrium properties of block copolymer micelles confined in polymer thin films are investigated using self-consistent field theory. The theory is based on a model system consisting of AB diblock copolymers and A homopolymers. Two…
The fabrication of versatile building blocks that are reliably self-assemble into desired ordered and disordered phases is amongst the hottest topics in contemporary material science. To this end, microscopic units of varying complexity,…
We study how confinement affects topology and conformations in polymer films of varying thickness $h$. The knotting probability exhibits a maximum at intermediate thicknesses near the bulk radius of gyration $h \approx R_\mathrm{g,bulk}$,…
The discovery of correlated phases in twisted moir\'e superlattices accelerated the search for low-dimensional materials with exotic properties. A promising approach uses engineered substrates to strain the material. However, designing…
Confined electronic states and optical transitions in 3D topological insulator nanoparticles have been studied in the literature, assuming idealized geometries such as spheres or infinitely long cylinders, that allow to obtain analytical…
We study the structure and elastic energy of the ground states of crystalline caps conforming to a spherical surface. These ground states consist of positive disclination defects in structures spanning from flat and weakly curved crystals…
Topological spin liquids are robust quantum states of matter with long-range entanglement and possess many exotic properties such as the fractional statistics of the elementary excitations. Yet these states, short of local parameters like…
We report about a mechanism for surface localization, present in finite defect-free polyatomic lattices described by a tight binding model. Numerical diagonalization and degenerated perturbation theory show that there is a minimum number of…
We present the results of a quantitative study of the phase behavior of a model polymer chain with side spheres using two independent computer simulation techniques. We find that the mere addition of side spheres results in key…
Smectic orders on curved substrates can be described by differential forms of rank one (1-forms), whose geometric meaning is the differential of the local phase field of density modulation. The exterior derivative of 1-form is the local…
Our understanding of topological insulators is based on an underlying crystalline lattice where the local electronic degrees of freedom at different sites hybridize with each other in ways that produce nontrivial band topology, and the…
Proteins form a very important class of polymers. In spite of major advances in the understanding of polymer science, the protein problem has remained largely unsolved. Here, we show that a polymer chain viewed as a tube not only captures…