Sushanta Sethi

Sushanta Sethi
Indian Institute of Technology Bombay | IIT Bombay · Department of Metallurgical Engineering & Materials Science Including Corrosion Science & Engineering

PhD
Post Doctoral Fellow @ IIT Bombay

About

30
Publications
13,537
Reads
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378
Citations
Additional affiliations
July 2016 - February 2021
Indian Institute of Technology Roorkee
Position
  • PhD
Education
July 2013 - May 2015

Publications

Publications (30)
Article
Full-text available
Governing the physical and chemical characteristics of contact area among solid substrate and liquid droplets is a widely used strategy to fabricate superhydrophobic and superhydrophilic surfaces. While both surface morphology and surface free energy of a solid substrate conclude its wettability, designing the surface with right topology has reserv...
Chapter
Full-text available
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 the planar defect. An important role is played by these defects in deciding the characteristic properties of face-centered cubic (FCC) metals and alloys, which are close...
Chapter
Full-text available
Interatomic potentials (or forcefields) for detailed structures are produced by fitting certain functions within constraints of investigational data or with planned data from the first-principles methods. The experimental data employed for fitting comprises equilibrium lattice parameter, bulk modulus, cohesive energy, thermal expansion coefficient,...
Chapter
Full-text available
Since the discovery of molecular dynamics (MD) simulations, their usage benefited a broad range of researchers and scientists in applied physics, biomaterials, and material science, owing to its greater accuracy and savings in materials wastage. In MD simulations, the interactions among different atoms or molecules present in a system are defined b...
Chapter
Full-text available
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 construct the initial random coordinates of polymer models, while other modules can then perform desired MD simulations. Subsequently, such models are used by different modul...
Chapter
Full-text available
Due to their exceptional mechanical and thermal properties, graphene and hexagonal boron nitride (h-BN) nanofillers are the new trends for reinforcing the polymer-based nanocomposites. Because of the high bandgap in h-BN (~ 5 eV), graphene and h-BN have comparable mechanical and thermal properties. Atomistic simulations are the viable substitutes t...
Chapter
Full-text available
Fibers, which are obtained from the straws of plants that are cultivated usually, refer to as stalk fibers. These include rice, wheat, oat, maize, barley and other crops including bamboo and tree wood. Rice had a production of about 720 millions tons in 2012 and is most widely grown crops. Rice protein is favorable for consumption by humans because...
Article
Wetting phenomena are ubiquitous in nature and technology. An accurate control in designing novel self-clean coating material requires a profound understanding of importance of low surface energy materials and surface topography. Computational modelling and simulations play a significant role to gain an in-depth knowledge of wettability phenomena....
Article
Full-text available
The electrically conductive and optically transparent flexible nanocomposites made of polymers and multi-walled carbon nanotube (MWCNT) have the potential to be used as a transparent substrate for optoelectronic applications. In this investigation, we have fabricated a series of nanocomposites of MWCNT, used as conductive filler, with a copolymer o...
Article
Full-text available
Fly ash (FA) particles were surface modified with cetyltrimethylammonium bromide (Ctab) and hybridized with graphene oxide (GO) and carboxymethyl cellulose (CMC) separately to increase interfacial adhesion with the polypropylene (PP) matrix. For a 5 wt.% CMC-hybridized FA, and Ctab-treated FA-filled PP composite, the highest increase in tensile (13...
Article
The nature of the usage of pressure-sensitive adhesives (PSAs) in food packaging and healthcare industries demands them to be biodegradable and biocompatible. In this investigation, a novel renewable class of PSA is proposed wherein the low Tg monomer of commercially available PSAs (2-ethylhexyl acrylate (2-EHA)) is replaced with bio-sourced acryla...
Article
An in-depth study of interfacial interactions between carbon fiber (CF) and polypropylene (PP) matrix was carried out through a series of pull-out simulations using molecular dynamics (MD). CF surface was function-alized by grafting separately with 2, 4, and 6 wt% of-OH,-COOH and NH 2 groups to understand its impact on fiber-matrix interfacial prop...
Article
Traditional hydrophobic surfaces possess low surface energy due to which they are less susceptible to contaminations. Such surfaces display adequate phobic nature against water/oil, and thus, offer an appropriate solution to fabricate easy-clean coatings. Herein, we report the design and fabrication of one such novel multi-functional easy-clean coa...
Article
Full-text available
This work is strategically premeditated to study the potential of a herbal medicinal product as a natural bioactive ingredient to generate nanocellulose-based antibacterial architectures. In situ fibrillation of purified cellulose was done in cinnamon extract (ciE) to obtain microfibrillated cellulose (MFC). To this MFC suspension, carboxylated cel...
Chapter
Self-clean property is a surface behavior which is highly demanding in various engineering and medical applications and is characterized by the extent of superhydrophobic nature of the material. A self-clean surface can withdraw dirt, blood or any foreign materials sitting on it, make it anti-fouling, increase the esthetic value of a material, etc....
Article
Being a novel and interesting zero-dimensional material of carbon family, graphene quantum dots (GQDs), have been studied extensively in the last few years due to their exceptional and desirable optical, chemical, physical, electrical and biological characteristics. Such unique size dependent properties exemplified by them are a reflection of combi...
Article
The importance of surface roughness on wettability is vital in developing novel techniques and materials for fabrication of self-cleaning coatings. In this study, the effect of varying roughness of a surface on its wettability was explored through changing the interspacing (a i) and particle diameter (D) of ZnO agglomerated particles in polyIJvinyla...
Article
The ultrafine ZnO quantum dots (QD) have received considerable attention in easy- clean coating formulations as these provide a reasonable surface roughness that offers enhanced hydrophobicity without affecting their transparency and durability. In this work, ZnO QD have been synthesized and later characterized using Transmission Electron Microscop...
Article
Easy-clean coatings have received overwhelming interest in outdoor and indoor surface applications nowadays. Poly (dimethylsiloxane) (PDMS), though a popular hydrophobic material, exhibits poor substrate adhesion which limits its use for aforementioned coating applications. To counter this drawback, blends of PDMS with poly (vinylacetate) (PVAc) of...
Article
Polymer industries are increasingly adopting molecular dynamics simulations for the prediction of targeted properties before going for any material formulation and product development. In this investigation, the impact of co-polymerizing poly(vinyl acetate) (PVAc) with poly(dimethyl siloxane) (PDMS) in developing a suitable easy-cleaning polymeric...
Conference Paper
In a fibre reinforced polymer composite the load-carrying capacity depends on the effective load transfer from the polymer matrix to the fibre. A good interfacial adhesion between fibre and polymer helps to improve this property significantly. In the field of carbon fibre (CF) reinforced composites, a recently developed method to improve the interf...
Chapter
Section I Fundamental, design and fabrication of superhydrophobic polymer coatings Chapter 1
Conference Paper
Full-text available
Polypropylene (PP) composites were prepared by incorporating short bamboo fiber (SBF) and treated hollow glass microspheres (HGM) and their thermal, thermo-mechanical and water absorption behaviour were analysed. Hybrid composite showed a higher glass transition (Tg) and crystallization temperature (Tc) compared to PP while insignificant effect on...
Article
In the present work, we demonstrate that polymer based functional microgels can be used as autocatalytic template for the bioinspired deposition of silica nanoparticles inside the microgel network under ambient conditions. Temperature responsive poly(N-vinyl caprolactam) based microgels were synthesized by precipitation polymerization using glycidy...
Article
In the present work, electrically conductive hybrid green composites were developed using epoxidized linseed oil (ELO) as bio-sourced matrix and, p-toluenesulfonic acid (pTSA) doped polyaniline (PANI) and carbon nanotubes (CNT) as two conductive fillers of varied nature. Based on percolation threshold, two different concentrations of CNT (0.1% and...
Article
Increasing energy demand, high energy cost and global warming issues require energy-intensive industries to make sincere efforts to improve energy efficiency. The energy consumption data available for different industries suggests that pulp and paper industry accounts for a significant share. Amongst various procedures to make paper, Kraft recovery...
Article
Molecular simulations are very promising computational methods to understand miscibility of polymers, surface behavior and bulk properties of materials. In this investigation, such useful computations have been carried out on blends of hydrophobic poly(dimethyl siloxane) (PDMS) with commercially available hydrolyzed grades (0%, 86% and 100% hydroly...
Article
Full-text available
The growing interest in self-clean coatings owes to their low maintenance cost, high durability, and immense potential applications. Such coatings, for instance, may offer useful resistance against fouling, icing, smear, corrosion and possesses oil-water separation capability. Hence, the design and development of self-cleaning materials is an area...

Questions

Questions (11)
Question
Is there any way to convert the interaction energy among two systems into force?
I have two systems, wherein the 1st system destroys the configuration of 2nd system, owing to electrostatic interactions. What I suppose is that the 1st system is providing a certain amount of force that exceeds the total amount of energy required to hold the 2nd system in that specific configuration.
Question
Every time I start loading a lammps dump file of more than 4GB in windows, VMD crashes. Are there any certain modifications I need to make?
Question
Is there any way to remove all the hydrogen atoms present in a pdb file using VMD or ovito.
Question
I need to create coarse grain (CG) beads from all-atom, for which I need to generate the psf file. To create the psf file VMD requires the topology file. So how can I create the topology file or Is there any other way that I can use to construct CG beads out of my all-atom i/p.
Question
I am looking for an alternate 2d hydrocarbon material that can be used alongside CNT as a hybrid material to design a membrane or supercapacitor.

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Projects

Projects (2)
Project
Dear Authors, Greetings. We, Dr. Akarsh Verma (University of Petroleum and Energy Studies, India), Dr. Sushanta K. Sethi (Indian Institute of Technology (IIT) Bombay, India), and Prof. Shigenobu Ogata (Osaka University, Japan), are editing the following book edition that will be published by the Springer Nature Publications. Title of the book “Coating Materials - Computational Aspects, Applications and Challenges” As per your expertise on this topic, we are happy to invite you to submit your research or review article related to this title (Your suggestions to modify the title of the chapter(s) according to your expertise and interest are most welcome). We are very hopeful that you will agree to contribute to this important publication. Both review and research articles of high quality are most welcome. The articles will be reviewed by experts in the respective fields prior to publication. There are no charges for the manuscripts to be published. Please note that 15th December 2022 is the last date to submit your book chapter/article to us. We would highly appreciate it if you please provide us with the names and contact information of others you feel would be qualified to write an article for this book edition. Thank you. With best regards, Editors
Project
To develop a self-clean eco-friendly coating.