[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 …

Adsorption chemistry of co-doped graphene nanoribbon and its derivatives towards carbon based gases for gas sensing applications: quantum DFT investigation

R Deji, A Verma, N Kaur, BC Choudhary… - Materials Science in …, 2022 - Elsevier
Sensing of the toxic gases plays a vital role in the human life to improve their health aspects
and the quality of life. Using the first-principles calculations combined with density functional …

A theoretical study of HCN adsorption and width effect on co-doped armchair graphene nanoribbon

R Deji, R Jyoti, A Verma, BC Choudhary… - Computational and …, 2022 - Elsevier
Hydrogen cyanide (HCN) is one of the hazardous gas and requires sensitive detection
material. In the present work stable structures, adsorption analysis, charge transfer and …

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 …

Graphene-based resistant sensor decorated with Mn, Co, Cu for nitric oxide detection: Langmuir adsorption & DFT method

F Mollaamin, M Monajjemi - Sensor Review, 2023 - emerald.com
Purpose The purpose of this paper is to investigate the ability of transition metals (TMs) of
iron-, nickel-and zinc-doped graphene nanosheet for adsorption of toxic gas of nitric oxide …

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 …