Related papers: Different Melting Behavior in Pentane and Heptane …
We carry out molecular statics (MS) simulations to study the indentation process of Pt (111) surfaces using an indenter with the radius of 5-20 nm. The substrate and indenter surfaces are either bare or graphene-covered. Our simulations…
We present a single electron approach to analyse the magnetotransport properties of the monolayer graphene as a function of both, the gate voltage and the magnetic field; and, also, their evolution with temperature. The model proposed means…
This study deals with the understanding of hydrogen atom scattering from graphene, a process critical for exploring C-H bond formation and energy transfer during the atom surface collision. In our previous work (J.Chem.Phys \textbf{159},…
Monte Carlo (MC) Simulations, Differential Scanning Calorimetry (DSC) and Fourier Transform InfraRed (FTIR) spectroscopy were used to study the melting behavior of single lipid components in two-component membranes of…
To clarify the yielding mechanism of small hydrocarbon molecules in chemical sputtering between hydrogen and graphene sheets, we made classical molecular dynamics simulation with modified Brenner's REBO potential which we proposed to deal…
We investigate the properties of membranes under tension by Monte-Carlo simulations of a generic coarse-grained model for lipid bilayers. We give a comprising overview of the behavior of several membrane characteristics, such as the area…
Step junctions are often present in layered materials, i.e. where single-layer regions meet multi-layer regions, yet their effect on thermal transport is not understood to date. Here, we measure heat flow across graphene junctions (GJs)…
The glass transition of supercooled fluids is a particular challenge for computer simulation, because the (longest) relaxation times increase by about 15 decades upon approaching the transition temperature T_g. Brute-force molecular…
The study of the adsorption phenomenon of helium began many decades ago with the discovery of graphite as a homogeneous substrate for investigation of physically adsorbed monolayer films. In particular, helium monoatomic layers on graphite…
Crystalline rhombohedral multilayer graphene (RMG) has emerged as an ideal platform for studying unconventional superconductivity. Here, we report the observation of superconductivity in moir\'eless rhombohedral heptalayer graphene (RHG) at…
We study the structure and melting of a classical bilayer system of dipoles, in a setup where the dipoles are oriented perpendicular to the planes of the layers and the density of dipoles is the same in each layer. Due to the anisotropic…
We find that both continuous and discontinuous hexatic-liquid transitions can happen in the melting of two-dimensional solids of soft-core disks. For three typical model systems, Hertzian, harmonic, and Gaussian-core models, we observe the…
Noncontact Atomic Force Microscopy and synchrotron x-ray scattering measurements on dotriacontane (n-C32H66 or C32) films adsorbed on SiO2-coated Si(100) wafers reveal a narrow temperature range near the bulk C32 melting point Tb in which a…
Searching for materials with single atom-thin as well as planar structure, like graphene and borophene, is one of the most attractive themes in two dimensional materials. Herein, using density functional theory calculations, we have…
The unique thinness of two-dimensional materials enables control over chemical phenomena at their surfaces by means of various gating techniques. For example, gating methods based on field-effect-transistor configurations have been…
Graphene is one of the stiffest known materials, with a Young's modulus of 1 TPa, making it an ideal candidate for use as a reinforcement in high-performance composites. However, being a one-atom thick crystalline material, graphene poses…
The mechanism behind the NMR surface relaxation and the large $T_1$/$T_2$ ratio of light hydrocarbons confined in the nano-pores of kerogen remains poorly understood, and consequently has engendered much debate. Towards bringing a…
Using Monte Carlo dynamics and the Monte Carlo Histogram Method, the simple three-dimensional 27 monomer lattice copolymer is examined in depth. The thermodynamic properties of various sequences are examined contrasting the behavior of good…
By using the diffusion Monte Carlo method, we obtained the full phase diagram of $^3$He on top of graphite preplated with a solid layer of $^4$He. All the $^4$He atoms of the substrate were explicitly considered and allowed to move during…
We observed surface X-ray diffraction from He-4 submonolayers adsorbed on a single-surface graphite using synchrotron X-rays. Time evolutions of scattering intensities along the crystal truncation rod (CTR) were observed even after reaching…