Boron nitride nanoslits for water desalination via forward osmosis: A molecular dynamics study.

The global shortage of freshwater resources has spurred significant interest among scientists in the development of cost-effective and highly efficient water desalination methods. The forward osmosis (FO) membrane has become well-known for its various advantages, such as its low energy usage, cost-effective performance, high efficiency in desalination, and minimal fouling. Herein, the desalination performance of an FO system containing a boron-nitride slit membrane (BNSM) was investigated using molecular dynamics (MD) simulations.

Thermal rectification in novel two-dimensional hybrid graphene/BCN sheets: A molecular dynamics simulation.

The graphene-like monolayer of carbon, boron and nitrogen that maintains the native hexagonal atomic lattice (BCN), is a novel semiconductor with special thermal properties. Herein, with the aid of a non-equilibrium molecular dynamics approach (NEMD), we study phonon thermal rectification in a hybrid system of pure graphene and BCN (G-BCN) in various configurations under a series of positive and negative temperature gradients. We begin by investigating the relation of thermal rectification to sample's mean temperature, T, and the imposed temperature difference, ΔT, between the two heat baths at its ends.

A theoretical insight into phonon heat transport in graphene/biphenylene superlattice nanoribbons: a molecular dynamic study.

Manipulating the thermal conductivity of nanomaterials is an efficacious approach to fabricate tailor-made nanodevices for thermoelectric applications. To this end, superlattice nanostructures can be used to achieve minimal thermal conductivity for the employed nanomaterials. Two-dimensional biphenylene is a recently-synthesized sp-hybridized allotrope of carbon atoms that can be employed in superlattice nanostructures and therefore further investigation in this context is due.

Heat transfer through hydrogenated graphene superlattice nanoribbons: a computational study.

Optimization of thermal conductivity of nanomaterials enables the fabrication of tailor-made nanodevices for thermoelectric applications. Superlattice nanostructures are correspondingly introduced to minimize the thermal conductivity of nanomaterials. Herein we computationally estimate the effect of total length and superlattice period ([Formula: see text]) on the thermal conductivity of graphene/graphane superlattice nanoribbons using molecular dynamics simulation.

Optic nerve head damage relation to intracranial pressure and corneal properties of eye in glaucoma risk assessment.

This work presents results from numerical simulations of optic nerve head's (ONH) biomechanical behavior during exposure to elevated intraocular (IOP) and/or intracranial pressure (ICP) for ocular hypertension conditions. At the same time, a range of geometric and material properties of the eye structure and their interrelation with elevated IOP and ICP values are investigated. These simulations are performed on a generic model of the eye, which allows parametrical modification of geometric and material properties.