Interfacial Forces in Free-Standing Layers of Melted Polyethylene, from Critical to Nanoscopic Thicknesses.

Molecular dynamics simulations of ultrathin free-standing layers made of melted (373.15-673.15 K) polyethylene chains, which exhibit a lower melting temperature (compared to the bulk value), were carried out to investigate the dominant pressure forces that shape the conformation of chains at the interfacial and bulk liquid regions.

Stability of Non-Concentric, Multilayer, and Fully Aligned Porous MoS Nanotubes.

Nanotubes made of non-concentric and multiple small layers of porous MoS contain inner pores suitable for membrane applications. In this study, molecular dynamics simulations using reactive potentials were employed to estimate the stability of the nanotubes and how their stability compares to macroscopic single- (1L) and double-layer MoS flakes. The observed stability was explained in terms of several analyses that focused on the size of the area of full-covered layers, number of layers, polytype, and size of the holes in the 1L flakes.

Critical Thickness of Free-Standing Nanothin Films Made of Melted Polyethylene Chains via Molecular Dynamics.

The mechanical stability of nanothin free-standing films made of melted polyethylene chains was predicted via molecular dynamics simulations in the range of 373.15-673.15 K.

Identification of Genetic Susceptibility Factors Associated with Canine Gastric Dilatation-Volvulus.

Canine gastric dilatation-volvulus (GDV) is a common life-threatening condition occurring primarily in large and giant breeds with a 3.9% to 36.7% lifetime risk.

Reactivity of Atomically Functionalized C-Doped Boron Nitride Nanoribbons and Their Interaction with Organosulfur Compounds.

The electronic and reactivity properties of carbon doped (C-doped) boron nitride nanoribbons (BNNRs) as a function of the carbon concentration were investigated in the framework of the density functional theory within the generalized gradient approximation. We found that the main routes to stabilize energetically the C-doped BNNRs involve substituting boron atoms near the edges. However, the effect of doping on the electronic properties depends of the sublattice where the C atoms are located; for instance, negative doping (partial occupations of electronic states) is found replacing B atoms, whereas positive doping (partial inoccupation of electronic states) is found when replacing N atoms with respect to the pristine BNNRs.