Related papers: Sliding grafted polymer layers
In this work we present results from NPT(isobaric-isothermal) Monte Carlo Simulation studies of Liquid Crystalline Dendrimer (LCDr) systems confined in a slit-pore made of two parallel flat walls. We investigate the substrate induced…
We carry out a computational study on the geometric and electronic properties of multi-layers of silicene in different stacking configurations using a state-of-art abinitio density functional theory based calculations. In this work we…
Amphiphilic lipid bilayers modify the friction properties of the surfaces on top of which they are deposited. In particular, the measured sliding friction coefficient is significantly reduced compared with the native surface. We investigate…
Searching new molecules in areas like drug discovery often starts from the core structures of candidate molecules to optimize the properties of interest. The way as such has called for a strategy of designing molecules retaining a…
The cyclic shift graph of a monoid is the graph whose vertices are the elements of the monoid and whose edges connect elements that are cyclic shift related. The Patience Sorting algorithm admits two generalizations to words, from which two…
We delineate a general theoretical framework to determine the substrate-regulated graphene morphology through energy minimization. We then apply such a framework to study the graphene morphology on a substrate with periodic surface grooves.…
Wrinkles in monolayer graphene (GN) affect the GN electronic and transport properties. Defined network of wrinkles can be reached by placing the GN on the substrate decorated with the nanoparticles (NPs). In order to explain mechanism…
Polymeric single-chain nanoparticles (SCNPs) are soft nano-objects synthesized by purely intramolecular cross-linking of single polymer chains. By means of computer simulations, we investigate the conformational properties of SCNPs as a…
We propose a novel class of responsive polymer brushes, where the effective grafting density can be controlled by external stimuli. This is achieved by using end-grafted polymer chains that have an affinity to the substrate. For…
A ring polymer is a random walk whose steps obey a single linear condition; their sum vanishes. Factoring the graph Laplacian into the product of the incidence matrix and its transpose allows us to show that for a more complicated network,…
We have performed multicanonical chain-growth simulations of a polymer interacting with an adsorbing surface. The polymer, which is not explicitly anchored at the surface, experiences a hierarchy of phase transitions between conformations…
A plethora of two-dimensional (2D) materials entered the physics and engineering scene in the last two decades. Their robust, membrane-like sheet permit -- mostly require -- deposition, giving rise to solid-solid dry interfaces whose bodily…
Multilayer graphene (MLG) grown by chemical vapor deposition (CVD) is a promising material for electronic and optoelectronic devices. Understanding the stacking configuration and interlayer coupling of MLGs is technologically relevant and…
Given a graph $G$, a configuration space of $G$ can be thought of as the set of all possible configurations of "robots" which can move throughout $G$, subject to some constraints. We introduce a type of configuration space which we call…
We propose a novel analytical model for anisotropic multi-layer cylindrical structures containing graphene layers. The general structure is formed by an aperiodic repetition of a three-layer sub-structure, where a graphene layer, with an…
Twisted two-dimensional (2D) layered materials exhibit many novel and unique phenomena, such as insulation and superconductivity transition, and superlubricity. However, the effect of twisting on these phenomena remains unclear. A key…
Scattering structure factors provide essential insight into material properties and are routinely obtained in experiments, computer simulations, and theoretical analyses. Different approaches favor different geometries of the material. In…
The recent discovery of graphene has sparked significant interest, which has so far been focused on the peculiar electronic structure of this material, in which charge carriers mimic massless relativistic particle. However, the structure of…
Process of stripe formation is analyzed numerically in a binary mixture. The system consists of particles of two sizes, without any direct mutual interactions. Overlapping of large particles, surrounded by a dense system of smaller…
In recent experiments involving PNIPAM copolymers it has been observed that stable spherical nanoparticles are being formed by association of several chains in poor aqueous solution instead of aggregation. This type of mesoscopic structures…