[HTML][HTML] Magnesium based alloys for reinforcing biopolymer composites and coatings: a critical overview on biomedical materials

A Verma, S Ogata - Advanced Industrial and Engineering Polymer …, 2023 - Elsevier
Magnesium (Mg) & its alloys are favourable for orthopaedic & cardiovascular medical device
fabrication applications, but holds a natural ability to degrade biologically when put with …

Impact of graphite particle surface modification on the strengthening of cross-linked polyvinyl alcohol composites: a comprehensive investigation

PK Agrawal, P Sharma, A Verma… - Proceedings of the …, 2024 - journals.sagepub.com
To reduce the hydrophilicity of polyvinyl alcohol (PVA), various methods are employed. Acid
cross-linking is one technique, but it decreases the polymer's strength. To address this …

Introduction to materials studio software for the atomistic-scale simulations

U Shankar, R Gogoi, SK Sethi, A Verma - Forcefields for atomistic-scale …, 2022 - Springer
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 …

Applications of coating materials: a critical overview

HS Gupta, SK Sethi, A Verma - Coating Materials: Computational Aspects …, 2023 - Springer
Recently coating technologies have been advanced significantly with more specific
functionalities. Scientists and engineers use such coatings to avoid subsequent failure of an …

Heteroatoms (B, N, and P) doped on nickel-doped graphene for phosgene (COCl2) adsorption: insight from theoretical calculations

DO Odey, HO Edet, H Louis, TE Gber… - Materials Today …, 2023 - Elsevier
Nanomaterials have been used for different applications including sensing environmental
gases. Exposure to hazardous gas in the environment leads to major health issues such as …

EAM inter-atomic potential—its implication on nickel, copper, and aluminum (and their alloys)

S Chaturvedi, A Verma, SK Singh, S Ogata - Forcefields for atomistic-scale …, 2022 - Springer
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) …

[HTML][HTML] PVA biopolymer-acidic functionalized graphene hybrid nano composite for vibration isolation application: An experimental approach with variable reflux and …

P Sati, A Verma, A Zindal, S Chauhan, VK Singh - Chemical Physics Impact, 2023 - Elsevier
In this research work, polyvinyl alcohol (PVA)-graphene (Gr) nano composite films were
fabricated by incorporating the functionalized graphene (f-Gr) for different periods of …

Defect energy calculations of nickel, copper and aluminium (and their alloys): molecular dynamics approach

S Chaturvedi, A Verma, SK Sethi, S Ogata - Forcefields for atomistic-scale …, 2022 - Springer
Stacking faults are defined as regions present in the crystal where the normal sequence of
stacking is disturbed. This takes place around a localized area. These defects come under …

An ab-initio investigation of transition metal-doped graphene quantum dots for the adsorption of hazardous CO2, H2S, HCN, and CNCl molecules

A Kanzariya, S Vadalkar, SK Jana, LK Saini… - Journal of Physics and …, 2024 - Elsevier
The quantum confinement and size effects make graphene quantum dots (GQDs)
remarkable candidates for sensing applications. Gas molecules can easily be adsorbed on …

Atomistic simulations to study thermal effects and strain rate on mechanical and fracture properties of graphene like BC3

A Verma, S Sharma - Forcefields for atomistic-scale simulations: materials …, 2022 - Springer
In recent years, experimentally fabricated two-dimensional materials evoked great attention
in nanodevice manufacturing industries. In this chapter, the author analyzed the mechanical …