相关论文: Theoretical formation of carbon nanomembranes unde…
Mirroring their role in electrical and optical physics, two-dimensional crystals are emerging as novel platforms for fluid separations and water desalination, which are hydrodynamic processes that occur in nanoscale environments. For…
Molecular Dynamics simulations of a coarse-grained bead-spring model of flexible macromolecules tethered with one end to the surface of a cylindrical pore are presented. Chain length $N$ and grafting density $\sigma$ are varied over a wide…
Molecular clouds are observed to be turbulent, but the origin of this turbulence is not well understood. As a result, there are two different approaches to simulating molecular clouds, one in which the turbulence is allowed to decay after…
Detailed understanding of the structural and photophysical properties of polymeric carbon nitride (PCN) materials is of critical importance to derive future material optimization strategies towards more desirable optical properties and more…
Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a…
We propose an experimentally viable setup for the realization of one-dimensional ultracold atom gases in a nanoscale magnetic waveguide formed by single doubly-clamped suspended carbon nanotubes. We show that all common decoherence and atom…
A growing body of experimental work indicates that physical vapor deposition provides an effective route for preparation of stable glasses, whose properties correspond in some cases to those expected for glasses that have been aged for…
Grain boundaries are thermodynamically unstable. Hence, their properties should be path-dependent: grain boundaries in nanocrystals prepared using different methods might exhibit different properties. Using molecular dynamics simulations,…
Reduced dimensionality leads to emergent phenomena in quantum materials and there is a need for accelerated materials discovery of nanoscale quantum materials in reduced dimensions. Thermomechanical nanomolding is a rapid synthesis method…
We investigate the propagation of a shock wave into a warm neutral medium and cold neutral medium by one-dimensional hydrodynamic calculations with detailed treatment of thermal and chemical processes. Our main result shows that thermal…
We use a method of molecular dynamics to investigate the distribution of liquid crystal 5CB molecules in a polymeric matrix. Temperature dependences of parameters of an order <P2> are calculated. Calculations have shown that depending on…
We model shell formation of core-shell noble metal nanoparticles. A recently developed kinetic Monte Carlo approach is utilized to reproduce growth morphologies realized in recent experiments on core-shell nanoparticle synthesis, which…
Elementary Cycles are intrinsic periodic phenomena, classical in the essence, whose classical relativistic dynamics reproduce the complete coherence (perfect recurrences) typically associated to the pure quantum behaviours of elementary…
Carbon-based tubular materials have sparked a great interest for future electronics and optoelectronics device applications. In this work, we computationally studied the mechanical properties of nanotubes generated from popgraphene…
The exploitation of the processes used by microorganisms to digest nutrients for their growth can be a viable method for the formation of a wide range of so called biogenic materials that have unique mechanical and physical properties that…
It has been recently shown that nanobubbles exhibit a remarkable and unexpected stability. The lifetime of nanobubbles, formed either within liquids or on hydrophobic surfaces, can exceed by more than 10 orders of magnitude the theoretical…
We present a feasibility study for loading cold atomic clouds into magnetic traps created by single-wall carbon nanotubes grown directly onto dielectric surfaces. We show that atoms may be captured for experimentally sustainable nanotube…
Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…
Understanding the formation of molecules under conditions relevant to interstellar chemistry is fundamental to characterize the chemical evolution of the universe. Using reactive molecular dynamics simulations with model-based or…
Organic nanowires and quasi-two-dimensional chiral patterns of tetracyanoquinodimethane have been successfully generated by vacuum thermal evaporation. The nanowires and patterns were characterized by using atomic force microscopy and…