Magnesium (Mg) & its alloys are favourable for orthopaedic & cardiovascular medical device
fabrication applications, but holds a natural ability to degrade biologically when put with …

Hydrogel is a three‐dimensional cross‐linked hydrophilic network that can imbibe a large
amount of water inside its structure (up to 99% of its dry weight). Due to their unique …

In the present investigation, corncob waste obtained from local agricultural fields in
conjunction with boron nitride particles has been used as the reinforcement material to …

We survey the atomistic simulations using Materials Studio (MS) software, which integrates
many modules for molecular dynamics (MD) simulation. These modules are first used to …

In this work, the authors have developed a reactive force field (ReaxFF) to investigate the
effect of water molecules on the interfacial interactions with vacancy defective hexagonal …

The aim of this article is to investigate the sensing performance of NO gas molecule on the
graphene nanoribbon domain for the determination of structural and electronic properties …

Aim of this article was to investigate the effect of grain boundaries on the interfacial
properties of bi-crystalline graphene/polyethylene based nanocomposites. Molecular …

In the proton exchange membrane fuel cells, the bipolar plates (BPs) are being widely used
in multifunctional mode. They have many unique properties, including prevention of coolant …

The objective of this investigation was to elaborate on the influence of grain boundaries on
the interfacial thermal conductance between bi-crystalline graphene and polyethylene in a …

In recent years, our atomic structure knowledge of solids has advanced. There are many
problems, which are related to material properties on which Embedded Atom Model (EAM) …