The Characteristics of Structural Properties and Diffusion Pathway of Alkali in Sodium Trisilicate: Nanoarchitectonics and Molecular Dynamic Simulation.

Based on nanoarchitectonics and molecular dynamics simulations, we investigate the structural properties and diffusion pathway of Na atoms in sodium trisilicate over a wide temperature range. The structural and dynamics properties are analyzed through the radial distribution function (RDF), the Voronoi Si- and O-polyhedrons, the cluster function f(r), and the sets of fastest (SFA) and slowest atoms (SSA). The results indicate that Na atoms are not placed in Si-polyhedrons and bridging oxygen (BO) polyhedrons; instead, Na atoms are mainly placed in non-bridging oxygen (NBO) polyhedrons and free oxygen (FO) polyhedrons.

A comparison of effectiveness between Posisep and Merocel nasal packing after endoscopic sinus surgery: Findings from a randomized, double-blinded, controlled trial.

Background: The effectiveness of nonabsorbable and biodegradable nasal packing is still controversial, and the choice of nasal packing type can alter the outcome of endoscopic sinus surgery. This study compared the effectiveness of Posisep and Merocel as nasal packing materials with regard to hemostasis, adhesion, wound healing, patient's satisfaction and health-related quality of life after endoscopic sinus surgery (ESS).

Methods: A prospective, randomized, double-blinded, controlled trial was conducted in patients with chronic rhinosinusitis refractory undergoing symmetrical bilateral ESS.

Domain Structural Transition and Structural Heterogeneity in GeO Glass Under Densification.

The domain structural transition and structural heterogeneity (SH) in GeO glass at 300 K and pressures up to 100 GPa are studied by means of molecular dynamics (MD) simulation. The results demonstrate that the structure of GeO glass comprises domain D4, domain D5, or domain D6, which depends strongly on pressure, where domain D ( = 4, 5, or 6) is a cluster of connected GeO units, in which all Ge atoms possess the same coordination number of . In the range of 9-18 GPa, GeO glass undergoes a structural transformation from domain D4 to domain D6 via domain D5.

Simulation on the Factors Affecting the Crystallization Process of FeNi Alloy by Molecular Dynamics.

This paper investigates the crystallization process of FeNi alloys with different impurity concentrations of Ni() [ = 10% (FeNi), 20% (FeNi), 30% (FeNi), 40% (FeNi), and 50% (FeNi)] at temperature () = 300 K and FeNi at heating rates of 4 × 10, 4 × 10, and 4 × 10 K/s at different temperatures, = 300, 400, 500, 600, 700, 900, 1100, and 1300 K. Molecular dynamics models with the Sutton-Chen embedded interaction potential and recirculating boundary conditions are used to calculate the molecular parameters of alloys, such as radial distribution function, total energy of the system ( ), size (), and crystallization temperature (through the relationship between and ). The common neighborhood analysis method is used to confirm the theoretical results of crystallization for Fe-Fe, Fe-Ni, and Ni-Ni.