Related papers: Two-dimensional structure in a generic model of tr…
We explore the link between the melting scenarios of two-dimensional systems of hard disks and squares through replica-exchange Monte Carlo simulations of hard superdisks. The well-known melting scenarios are observed in the disk and square…
The three dimensional structure of a protein is an outcome of the interactions of its constituent amino acids in 3D space. Considering the amino acids as nodes and the interactions among them as edges we have constructed and analyzed…
The helium trimer is studied using two- and three-body soft-core potentials. Realistic helium-helium potentials present an extremely strong short-range repulsion and support a single, very shallow, bound state. The description of systems…
By means of multicanonical computer simulations, we investigate thermodynamic properties of the aggregation of interacting semiflexible polymers. We analyze a mesoscopic bead-stick model, where nonbonded monomers interact via Lennard-Jones…
The two-dimensional ordering of bacteriorhodopsins in a lipid bilayer was studied using a binary hard-disk model. The phase diagrams were calculated, taking into account the lateral depletion effects. The critical concentrations of the…
Using quantum Monte Carlo, exact diagonalization and perturbation theory, we study the spectrum of the $S=1/2$ antiferromagnetic Heisenberg trimer chain by varying the ratio $g=J_2/J_1$ of the intertrimer and intratrimer coupling strengths.…
The Materials Project crystal structure database has been searched for materials possessing layered motifs in their crystal structures using a topology-scaling algorithm. The algorithm identifies and measures the sizes of bonded atomic…
Structural materials are broadly used in applications such as nuclear vessels, high-temperature processes, and civil construction. Usually, during their placing and lifespan, they may present free or chemically bonded liquid phases in their…
Helmet streamers are a prominent manifestation of magnetic structures with current sheets in the solar corona. These large-scale structures are regions with high plasma density, overlying active regions and filament channels. We investigate…
Protein structure is generally conceptualized as the global arrangement or of smaller, local motifs of helices, sheets, and loops. These regular, recurring secondary structural elements have well-understood and standardized definitions in…
Chiral heteropolymers such as larger globular proteins can simultaneously support multiple length scales. The interplay between different scales brings about conformational diversity, and governs the structure of the energy landscape.…
In this paper we investigate the phase diagram of a dumbbell model composed of two hard-core soft-corona beads through $NpT$ simulations. This particular system was chosen due to its ability to exhibit a diverse range of stripe patterns.…
The advent of two-dimensional (2D) crystals has led to numerous scientific breakthroughs. Conventional 2D systems have in-plane covalent bonds and a weak out-of-plane van-der-Waals bond. Here we report a new type of 2D material composed of…
We compare the structural and mechanical properties of static packings composed of frictionless convex (ellipses) and concave (rigid dimers) particles in two dimensions. We employ numerical simulations to generate static packings and…
Using density functionals from fundamental measure theory, phase diagrams and crystal-fluid surface tensions in additive and nonadditive (Asakura-Oosawa model) two-dimensional hard disk mixtures are determined for the whole range of size…
A combined low-temperature scanning tunneling microscopy and density functional theory study on the binding and diffusion of copper monomers, dimers, and trimers adsorbed on Cu(111) is presented. Whereas atoms in trimers are found in fcc…
In three-dimensional magnetic configurations for a plasma in which no closed field line or magnetic null exists, no magnetic reconnection can occur, by the strictest definition of reconnection. A finitely long pinch with line-tied boundary…
Liquid crystal elastomers are rubbery solids that couple liquid crystalline order and deformation. This coupling leads to properties that are attractive for a number of applications in soft robotics and energy absorption. This paper is…
In this letter, the possible dynamic scaling properties of protein molecules in folding are investigated theoretically by assuming that the protein molecules are percolated networks. It is shown that the fractal character and the fractal…
Solid-solid phase transitions are ubiquitous in nature, but the kinetic pathway of anisotropic particle systems remains elusive, where the coupling between translational and rotational motions plays a critical role in various kinetic…