Recently, with the fast advancement of nanoscience and nanotechnology, metallic
nanowires (MNW) have received additional attention among researchers. Metallic …

The effect of the number of layers, various defects and functional groups on solubility
parameter of graphene was studied through molecular dynamics (MD) simulation. We …

The effect of radiation-thermal aging on the structure and properties of polydimethylsiloxane
(PDMS) rubber at the micro-scale was investigated through molecular dynamics simulation …

The influence of radiation-moisture aging on the thermodynamic and interface properties of
nano-silica/silicone rubber (PDMS) composites was investigated using molecular dynamics …

Molecular dynamics (MD) simulations are used to investigate the fundamental damping
mechanism of the AO-60/nitrile-butadiene rubber (AO-60/NBR) composites at the molecular …

Abstract Poly (N-(2-hydroxypropyl) methacrylamide)(PHPMA) is a promising drug platform
as it is non-immunogenic, biocompatible and hydrophilic polymer. It is the first copolymer …

Parameters of potential function have a great influence on the structures of bimetallic
clusters. Three potential parameters, ie, parameter sets C, P/N, and M, are applied to study …

Polymer-based nanocomposites properties are greatly affected by interfacial interaction.
Polyacrylate nanocomposites have been widely studied, but few studies have been …

Polymethyl methacrylate (PMMA) and dibutyl phthalate (DBP) binary system was simulated
by molecular dynamics (MD) simulations with the COMPASS force field to predict properties …

The effect of the acrylonitrile content in nitrile-butadiene rubber (NBR) on the compatibility
and damping properties of AO-60/NBR was investigated by molecular dynamics (MD) …