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The 1^st National Conference on "Recent Advancements in Physical Sciences" (NCRAPS-2019) during December 19-20, 2019 at National Institute of Technology, Uttarakhand, Satellite Campus, MNIT Jaipur, India is jointly organized by Departments of Chemistry, Physics and Mathematics, NIT, Uttarakhand.

NCRAPS-2019 has been deliberated to showcase research accomplishments and to enrich the educational experience in Basic Sciences with focus on emerging multidisciplinary research areas viz. Biophysics, Nanotechnology & Materials Science, Fluid Mechanics & Biomechanics, Applied Mathematics & Analysis, Optical Sensors/Devices, Modelling and Simulation of Molecules/Advanced Materials, etc. The details of the conference are available at www.nituk.ac.in/ncraps19/. The conference organizing committee has invited three keynote speakers and over dozen domain experts to deliver expert talks. The three keynote speakers covered the different areas of the conference i.e. 1. Prof. Rama Bhargava (Indian Institute of Technology, Roorkee) on "Exploring The Potential Of Mathematics", 2. Prof. B. L. Ahuja (MLS University, Udaipur) will be talking on "Compton Spectroscopy and Electronic Response of Functional Materials"and 3. Prof. Rajeev Gupta (University of Delhi, Delhi) on "Designer Molecular Architectures: Applications In Catalysis, Solid-State Sensing And Energy Transfer".

The conference received in all 65 extended abstract submissions which were peer reviewed and 55 have been accepted for oral presentation. The abstracts have been split between two technical sessions in conference broad subject areas of Chemistry, Mathematics and Physics. The participants across the great country India made the conference of national scope. The two day conference with nearly 55 oral presentations created the heart of the conference and provided ample opportunity for discussion during the conference. The organizing committee will stringently examine the best research accomplishments out of 56 shortlisted abstracts and the work selected in second round will be processed to the full paper publication in Institute of Physics (IOP) as conference proceedings.

As conferencechairs/secretaries, we have many people to thank and would like to put the appreciation of their contribution on record. In this regard, the largest burden fell upon the experienced shoulders of Keynote speakers, Invited speakers, Session chairs and our technical reviewers along with substantial assistance received from active student volunteers. Therefore, these are the foremost in the list of people to be thanked.

We also thank to all the authors who submitted their papers. It was both a privilege and a great responsibility to oversee the reviewing of submitted papers. We sincerely thank to our Patron, Prof.Shyam Lal Soni, Director, NITUK and Sponsors State Bank of India and Paru Graphics Srinagar (Garhwal), Uttarakhand for generous financial support to the conference and helping us to make this event successful.

Welcome you all to the pink City of Jaipur!

Thank you!

Conference Chair(s)/Secretaries

Editors of the proceedings are available in the pdf

All papers published in this volume of Journal of Physics: Conference Series have been peer reviewed through processes administered by the proceedings Editors. Reviews were conducted by expert referees to the professional and scientific standards expected of a proceedings journal published by IOP Publishing.

A couple of 2-aminoethylpyridine based fluorescent compounds (E)-1-((2-(5-nitropyridin-2-ylamino)ethylimino)methyl)naphthalen-2-ol (1) and (E)-4-nitro-2-((2-(5-nitropyridin-2-ylamino)ethylimino)methyl)phenol (2) have been designed and synthesized by setting up reactions of N-(2-aminoethyl)-5-nitropyridin-2-amine with 2-hydroxy-1-naphthaldehyde and 2-hydroxy-5-nitrobenzaldehyde, respectively. Both the probes have been characterized by elemental analyses, FTIR, ¹H & ¹³C NMR, UV/vis and fluorescence spectral techniques. Furthermore the sensing behavior of 1 and 2 towards various metal ions were examined via UV/vis and fluorescence studies. The fluorescence of 1 and 2 enhanced upon interaction with Fe³⁺ ion whereas Hg²⁺ induced small fluorescence quenching of 1 and enhancement of fluorescence in 2. The selectivity and sensitivity assay ensured by 2 remains unaltered in presence of interfering metal ions. Hence, among these two chemosensors only 2 may be useful for practical application of detection and estimation of trace Fe³⁺ and Hg²⁺ in real water samples and/or in biological systems.

Here in this work we have carried out synthesis of isoniazid and their benzaldehyde derivative in the presence of SiO₂/P₂O₅ catalyzed utilizing conventional and microwave assisted protocols. Both these protocols examined comparatively and we found that microwave assisted synthesis is more efficient, eco-friendly and economical method as compared to conventional method. Yield of product is also higher than conventional method. Use of heterogeneous catalyst is also promoting the yield of product and it is very easy to separate from the product by simple filtration and centrifugation. These synthesized compounds are characterized by physical and spectral studies (IR, UV-VIS, NMR spectroscopy) Isoniazid having excellent antitubercular activity and due to presence of Isoniazid they may have good antibiotic property.

A numerical investigation on main elements of composite material could provide the clear view on the selection of main elements for the construction of composites. The lifetime of composite material is basically depends upon the chemistry between reinforcement and matrix. Also, the improvements of properties in composite are based on the main elements. Therefore the comparative studies on main elements of composite could provide suitable components for composite, which have the high capability to provide high mechanical properties. In this work, a dog-bone shape test specimen is selected as fundamental component, which is modeled with the help of Design Modeller 16.2. Utterly, 25 test specimens are constructed depends on the fiber directional angle of the reinforcements for structural analysis. The numerical simulations on 40 specimens are executed completely and then comparative analyses are carried out. Finally, after the comparison, both reinforcement and matrix are optimized for tensile loading conditions.

Hydrodynamic effects are severely affecting the performance of a Marine Propeller. Basically, manuvering of an Unmanned Aquatic Vehicle's is controlled by its propeller, which is drastically depends on the fluid. Therefore the study about fluid behaviour and its effects are mandatory to enhance the efficiency of the marine propeller. In this work deals, the hydrodynamic force estimations on the marine propeller by using both theoretical formulae and numerical analysis. The aim of this work is to obtain the fine tuned hydrodynamic forces of marine propeller for its performance enhancement. Fundamentally, complexities involved in the force estimation approaches are represent the fluid behaviour and environmental conditions. Standard formulae are used for estimations of hydrodynamic forces. CATIA is used for the generation of conceptual design on the marine propeller. ANSYS Fluent 16.2 is used for numerical simulation, in which fluid is provided the ocean water properties. Finally, the hydrodynamic forces are compared for future work.

The present work explores the numerical solution of magnetohydrodynamic (MHD) flow and heat transfer of Sisko fluid model over an exponential stretching surface. The flow is produced by the stretching of exponential surface in the presence of a uniform magnetic field. The governing equations are converted to nonlinear ordinary differential equations, using some appropriate dimensionless variables. The solution of the reduced nonlinear ordinary differential equations are found by numerical technique using bvp4c solver with MATLAB. The impact of various physical factors like magnetic parameter, material parameter, power law index & Prandtl number on the velocity and temperature profiles are shown graphically and elaborated.

Bone cells namely osteoblasts and osteocytes are assumed responsible for loading-induced osteogenesis. Osteocytes lie within the bone and connect to each other via cell process passing through canalicular spaces which forms a canalicular network. Fluid motion across this network acts as a medium of communication with neighbouring cells. Mechanical loading-induced pressure gradients in lacunar canalicular space (LCS) causes canalicular fluid to flow. However, it remains unclear how canalicular fluid motion and solid structure interact with each other under loading derived strain environment. In the present study, a two-way fluid structure interaction model is developed to estimate canalicular fluid flow behaviour. Flow streamlines and wall shear stress are computed. Results indicates that wall shear due to fluid flow on the pores wall is also in the same pattern as the velocity streams and velocity is maximum at those regions where the wall shear is also maximum. The outcomes provide a better understanding for developing strategies to enhance the fluid flow in bone, which may ultimately be useful in the development of effective countermeasure for the reversal of bone loss.

Mathematical model is needed to study the epidemiology of tuberculosis. Here we have proposed a model that is more realistic. We are exhibiting a theoretical framework for getting the control and eradication methodologies to minimize the number of infectious tuberculosis cases in the community. For this purpose, the model population has been compartmentalized and the consequential model equations have been solved analytically. Numerical Simulation has been given to validate the results obtained by the theoretical approach. The effect of latent periods on the epidemics of tuberculosis with respect to population density has been studied. The equilibrium points of the model are calculated and their stability is established by using the 'Basic Reproduction number'. It is observed that when basic reproduction number is less or equal to unity, the disease-free equilibrium point (DEF) is globally asymptotically stable, while when it is greater to unity, the endemic equilibrium point (EE) is globally asymptotically stable i.e., illness will persist in the population and epidemic will turn out to be endemic. Also, it is obtained that compactness of people decides the infection rate of tuberculosis i.e. the risk of instability of disease free equilibrium increases as the population density increases.

Aim of present study is to identify the effects of radiation and heat generation in unsteady MHD mixed convective flow of nanofluids along a upstanding channel through porous medium. Four types of nanofluids were studied (i) Water based – Ag (ii) Water based – Al₂O₃. Water is taken as convectional base fluid and Ag and Al₂O₃ particles are incorporated in this base fluid. Keeping in mind the congregating and random motion of nanoparticles, "Koo and Kleinstreuer model" is used. The main characteristics of the nanofluids have finer thermo physical properties such as high thermal conductivity, minimal bloking in flow passage, long term solidity and uniformity. The governing boundary layer equations are formulated and reduced to a set of ordinary differential equations using perturbation technique. Solutions are obtained for motion and temperature, discussed and pertinent results are shown through graphs.

The graceful labeling of a graph G with p vertices and q edges is an injection f: V (G) to {0, 1, 2... q} such that, when each edge uv is assigned the label |f (u)-f (v)|. The resulting edge set are {1, 2, 3 ...q}. When graceful Labeling is applied to a graph it is known as a Gracful graph. In this paper, we introduce the graph HSn by arranging a series of Hexagons glued to each other by attaching the any one vertex of the first hexagon to the next one and the second hexagon to the third one and so on which is called a Hexagonal Snake. Thus, 'n' number of of hexagonal snakes are fixed along a path. We have applied graceful labeling to this Hexagonal Snake graph and have shown that it satisfies α-labeling.

Several XYZ materials with X and Y as 3d and 4d transition metal elements offer half-metallic magnetic properties. In such half-metallic materials there is a band gap at the Fermi energy for the minority spin channel, but not for the majority spin channel. In this work, we present the energy bands and density of states of half-Heusler alloys namely, KCrZ (where Z=S, Se and Te) using first principles full potential linearized augmented plane wave method by applying PBEsol approach of generalised gradient approximation. It is seen that these compounds show half-metallic character with large magnetic moment of about 5.0 μ_B Density of states and energy bands are analysed to discuss about the origin of large values of spin moment in such compounds.

Contamination of heavy metals in wastewater is a significant worldwide problem, which is causing to detrimental effect on human health and environment. In present work, magnetite nanoparticles were used for the expulsion of Pb(II) and Cd(II) ions from aqueous solutions at varying pH conditions, contact time and adsorbent amounts. Magnetite nanoparticles were synthesized by co-precipitation method. Synthesized nanoparticles were characterized by XRD, FTIR, UV-Vis, VSM and SEM techniques for structural, optical, magnetic and morphological properties. The crystalline nature of magnetite nanoparticles with crystallite size 10.16 nm was confirmed by XRD. Optical properties and functional group identification of magnetite nanoparticles were revealed by UV-Vis and FTIR spectroscopy respectively. VSM measurements showed that the saturation magnetization of magnetite nanoparticles was 56.42 emu/g. This indicates that after adsorption, an easy separation of metal loaded magnetite nanoparticles from aqueous solutions can be achieved by applying the external magnetic field. Adsorption experiments results showed that the adsorption capacity of magnetite nanoparticles is higher for Pb(II) ions. At optimum conditions, the maximum removal efficiencies for Pb(II) and Cd(II) ions were 98.6% and 93% respectively. Langmuir and Freundlich adsorption isotherms were found suitable for adsorption processes. The adsorption kinetic data for both the metal ions were best fitted by pseudo second order reaction. Surface images of bare and metal loaded magnetite nanoparticles supported the confirmation of adsorption of metal ions on nanoparticles surface. Thus, it is concluded that magnetite nanoparticles can be effectively used as an adsorbent for expulsion of heavy metals from aqueous solutions.

Expeditious evolution of solar photovoltaic industry has triggered transformation in energy sector across the world. After the concluded durability of the PV panels amount of junk originates. This junk is directed into the category of solid waste. With the increasing solar power plant installations in India the amount of waste to be accumulated in the nearby years to come will be a matter of grave concern. Hasty action should be taken by the Indian policy makers and other non-governmental agencies to process the solar photovoltaic recycling policies at commercial level in an economically sustainable manner. This paper inspects the prospective requisite of PV reprocessing legislation by investigating the current reprocessing arrangements of the commercialized first and second generation solar PV materials. Emphasis is also laid on the hazardous effects of the waste on human body. Quantity of reclaimed material is considered and its economic importance is analysed. Architectural liability is put at the utmost front for curbing out the havoc to be created by piling up of the junk photovoltaic materials through economically feasible policy framework. Through this article effective solar PV reclaiming policy framework is proposed for the Indian government which will foster new socio-economic, environmental and employment opportunities.

In the present paper, ab intio calculations of structural, band structure and optical properties of MgSi_0.94Sn_0.06P₂ are studied within the framework of Density Functional Theory (DFT). The exchange correlation used to carry out all the calculations is Perdew-Burke-Ernzerhof Generalized Gradient Approximation (PBE-GGA) which is embodied in Wien2k code using Full Potential-Linear Augmented Plane Wave (FP-LAPW) method. The band structure, partial and total density of states (DOS) are computed for the supercell structure of MgSi_0.94Sn_0.06P₂. The direct energy band gap (Eg) is found to be 1.36 eV which exhibits high optical absorption. It is observed that by adding a smaller percentage of Sn at Si Site in MgSiP2 chalcopyrite increases the band gap thus making it suitable for photovoltaic applications

The wide band gap semiconductors like ZnS have gained tremendous response in the optoelectronic applications claiming their significant role in device operability at varied compositions and temperature. We have performed a detailed study of pure and Sn doped ZnS using Perdew-Burkhe-Ernzerhof (PBE) exchange correlation as embodied in Wien2k code. The doping of 6.25% Sn at Zn site, in ZnS has reduced the band gap (E_g) to 1.70 eV from 2.15 eV (E_g for bulk ZnS) thus making it more suitable for the applications of solar cell. Various properties such as band structure, density of states and integrated absorption coefficient depicting their electronic and optical nature are examined. The spectra of absorption curve states the possibility of material to be solar if it lies in the visible spectra range of 0-5 eV.

We have measured the electron momentum density (EMD) of LiTaO₃ using 100 mCi ²⁴¹Am Compton spectrometer. The experimental Compton profile (CP) is compared with theoretical EMDs deduced using linear combination of atomic orbitals (LCAO) method with different exchange and correlation potentials namely PBE, PWGGA and VBH. On the basis of χ² fit (which scales goodness of fitting) and difference profiles between experimental and theoretical CPs, LCAO-PWGGA potential based CP is found close to experimental results. Electronic properties like energy bands and density of states of LiTaO₃ using LCAO-PWGGA potential show a band gap of 4.85 eV of LiTaO₃, thereby depicting its semiconductor nature with wide band gap. It is observed that upper valence band region is mainly dominated by 2p states of O and 5d states of Ta, although there is small contribution of 2s states of Li in this region.

In present work, NiFe₂O₄ nanoparticles doped with 4% Ce ions were synthesized by chemical route using nitrates of iron, nickel and cerium with citric acid. Irradiation with swift heavy ions can modify the properties of ferrites significantly. Modification depends upon type of ion, energy and fluence used for irradiation. Presently NiCe_0.04Fe_1.96O₄ sample was irradiated with 100 MeV O⁷⁺ beam at fluencies of 1×10¹² ions/cm², 5×10¹² ions/cm², 1×10¹³ ions/cm² and 2×10¹³ ions/cm². All samples (pristine and irradiated) were characterized by XRD, FTIR, Raman and UV-Vis spectroscopy. XRD patterns and FTIR spectra confirmed the spinel structure of sample. XRD parameters like crystallite size, lattice parameter, strain etc. were calculated, which show significant change only at the fluence of 5×10¹² ions/cm². UV-Vis spectra show two direct band gaps corresponding to low and high spin in all samples. Band gap was found to be higher for sample irradiated at 2×10¹³ ions/cm² fluence in comparison to pristine sample. It is found that irradiation with 100 MeV oxygen affect the structural parameters in random way while optical band gap shows increasing trend with fluence.

Electronic structure of thermoluminescent (TL) lithium tetraborate (Li₂B₄O₇) using density functional theory is presented. We have computed the E-k relations and density of states (DOS) by applying ab-initio LCAO and FP-LAPW theories. The band gaps obtained using local density approximation (LDA) within LCAO and FP-LAPW approaches are found to be 6.48 and 5.84 eV, respectively at Γ point of BZ leading to its direct band gap character. Our LCAO based computations give close agreement with experimental value of 7.9 eV. The DOS curves validate the dominance of O-2p states in the top valence band with a minor role of B-2p electrons. The conduction band region consists of dominant contribution of B-2p states.