i-manager Publications

i-manager's Journal on Material Science (JMS)

Current Issue Vol. 12 Issue 1

Most Cited

Electrical Properties of Nanocomposite Polymer Gels based on PMMA-DMA/DMC-LiCLO₂ -SiO₂
Comparison Of Composite Proton Conducting Polymer Gel Electrolytes Containing Weak Aromatic Acids
Enhancement in Electrical Properties of PEO Based Nano-Composite Gel Electrolytes
Effect of Donor Number of Plasticizers on Conductivity of Polymer Electrolytes Containing NH₄F
PMMA Based Polymer Gel Electrolyte Containing LiCF₃SO₃

Volume 6 Issue 2 July - September 2018

Research Paper

Geometry Structures and Electronic Properties on 2,2-Dimenthyl-N-(phenylsulfonyl)acetamide using Density Functional Theory

S. M. Wang* , P. L. Toh**

* PG Scholar, Engineering Science, University Tunku Abdul Rahman, Malaysia.

** Assistant Professor, Faculty of Engineering and Green Technology, Universiti Tunku Abdul Rahman, Malaysia.

Wang, S.M., and Toh, P.L. (2018). Geometry Structures and Electronic Properties on 2,2-Dimenthyl-N-(Phenylsulfonyl)Acetamide Using Density Functional Theory. i-manager’s Journal on Material Science, 6(2), 1-7. https://doi.org/10.26634/jms.6.2.14644

Abstract

2,2-Dimenthyl-N-(phenylsulfonyl)acetamide, C₁₀H₁₃NO₃S is one of the derivative of sulfonamide drugs, which uses to treat tuberculosis, urinary tract infection and act as anti-microbial agent. In this study, the focus is on the computational and theoretical study of C₁₀H₁₃NO₃S by using a Density Functional Theory (DFT) method as our main quantum mechanics computational technique to investigate and analyze the geometry and electronic structures of C₁₀H₁₃NO₃S. All DFT simulations were carried out using Quantum Espresso and Gaussian 09 program packages. From the computed results, the lattice parameters (a, b, c, and β), geometrical parameters (bond distances, bond angles, and dihedral angles), electronic structures (total energies, dipole moments, HOMO-LUMO energy gaps, and others) of C₁₀H₁₃NO₃S molecular system were also included and discussed in this study.

References

[1]. Al-Sehemi, A. G. (2011). Vibational spectroscopic, molecular structure and HOMO, LUMO studies of Sulfanilamide by Density Functional method. Journal of King Abdulaziz University: Science, 23(1), 63-78.

[2]. Bendjeddou, A., Abbaz, T., Gouasmia, A. K., & Villemi, D. (2016). Molecular structure, HOMO-LUMO, MEP and Fukui function analysis of some TTF donor substituted molecules using DFT (B3LYP) calculations. Int. Res. J. Pure Appl. Chem., 12(1), 1-9.

[3]. Bouchoucha, A., Zaater, S., Bouacida, S., Merazig, H., & Djabbar, S. (2018). Synthesis and characterization of new complexes of nickel (II), palladium (II) and platinum (II) with derived sulfonamide ligand: Structure, DFT study, antibacterial and cytotoxicity activities. Journal of Molecular Structure, 1161, 345-355.

[4]. Demircioglu, Z., OIzdemir, F. A., Dayan, O., Serbetci, Z., & Ozdemir, N. (2018). Synthesis, X-ray diffraction method, spectroscopic characterization (FT-IR, 1H and 13C NMR), antimicrobial activity, Hirshfeld surface analysis and DFT computations of novel sulfonamide derivatives. Journal of Molecular Structure, 1161, 122-137.

[5]. Dhas, D. A., & Daniel, A. B. (2017). Vibrational spectral investigation of 4-(1-hydroxyethyl) benzene-1-sulfonamide. International Journal of Latest Trends in Engineering and Technology, 81-86.

[6]. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., & Cheeseman, J. R. (2009). GAUSSIAN09. Revision E. 01. Gaussian Inc., Wallingford, CT, USA.

[7]. Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., & Dal Corso, A. (2009). QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter, 21(39), 395502.

[8]. Gowda, B. T., Foro, S., Nirmala, P. G., & Fuess, H. (2009). 2,2-Dimethyl-N-(phenylsulfonyl)acetamide. Acta Crystallographica Section E: Structure Reports Online, 65(11), o2680-o2680.

[9]. Mahmood, A., Akram, T., & de Lima, E. B. (2016). Syntheses, spectroscopic investigation and electronic properties of two sulfonamide derivatives: A combined experimental and quantum chemical approach. Journal of Molecular Structure, 1108, 496-507.

[10]. Novena, L. M., Kumar, S. S., Athimoolam, S., Saminathan, K., & Sridhar, B. (2017). Single crystal, vibrational and computational studies of Theophylline (a bronchodilator drug) and its chloride salt. Journal of Molecular Structure, 1133, 294-306.

[11]. Ramya, T., Gunasekaran, S., & Ramkumaar, G. R. (2013). Density functional theory, restricted Hartree–Fock simulations and FTIR, FT-Raman and UV–Vis spectroscopic studies on lamotrigine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 114, 277-283.

[12]. Sulfa Drug. (n.d). Retrieved from https://www. britannica.com/science/sulfa-drug

[13]. Tacic, A., Nikolic, V., Nikolic, L., & Savic, I. (2017). Antimicrobial sulfonamide drugs. Advanced Technologies, 6(1), 58-71.

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Research Paper

Impact of Material Selection on Consumer Electronic Product Design

Tom Page*

*Associate Professor Design, Department of Product Design, Nottingham Trent University, England.

Page, T. (2018). Impact of Material Selection on Consumer Electronic Product Design. i-manager’s Journal on Material Science, 6(2), 8-21. https://doi.org/10.26634/jms.6.2.14330

Abstract

Material selection is a key part of the design process, but how well do designers consider materials when making design decisions? This study looks at how these design decisions impact the consumer's interaction and how designers can use materials to increase the consumer's perception of the success of a product. A questionnaire has been carried out with designers to understand what material selection tools they currently use and how they see the materials they select impacting the consumer. Once these questionnaires had been analysed, further interviews were carried out with the participants to validate the data already collected and gain a greater understanding. The results show that although designers are well aware of the importance of material selection and how these selections impact the consumer, it is not necessarily their priority when it comes to selecting materials. It was established that selecting material to please the consumer and increase consumption was of importance.

References

[1]. Ashby, M. F. (1992). Material Selection in Mechanical Design. Cambridge, UK: Pergamon Press.

[2]. Ashby, M. F., & Johnson, K. (2013). Materials and Design: The Art and Science of Material Selection in Product Design. Butterworth-Heinemann.

[3]. Bernard, R. H. (2000). Social Research Methods: Qualitative and Quantitative Approaches. London: Sage Publications, Inc.

[4]. Brannen, J. (1992). Combining Qualitative and Quantitative Approaches: An Overview. Aldershot: Avebury.

[5]. Chiner, M. (1988). Planning of expert systems for materials selection. Materials & Design, 9(4), 195-203.

[6]. Chhibber, S. (2007). Towards an Understanding of Product Pleasure (Doctoral Dissertation, Loughborough University).

[7]. Davies, M. B., & Hughes, N. (2014). Doing a Successful Research Project: Using Qualitative or Quantitative Methods, 2^nd Ed. Basingstoke: Palgrave Macmillan.

[8]. Deakin, R. (2014). Facilitating Sustainable Material Selection in the Industrial Design of Mass-manufactured Products (Doctoral Dissertation, Loughborough University).

[9]. Desmet, P. (2003). A multilayered model of product emotions. The Design Journal, 6(2), 4-13.

[10]. Frijda, N. H., & Mesquita, B. (1998). The analysis of emotions. In What Develops in Emotional Development? (pp. 273-295). Springer, Boston, MA.

[11]. Jahan, A., Ismail, M. Y., Sapuan, S. M., & Mustapha, F. (2010). Material screening and choosing methods–a review. Materials & Design, 31(2), 696-705.

[12]. Karana, E., Hekkert, P., & Kandachar, P. (2009). Meanings of materials through sensorial properties and manufacturing processes. Materials & Design, 30(7), 2778- 2784.

[13]. Karana, E., Hekkert, P., & Kandachar, P. (2010). A tool for meaning driven materials selection. Materials & Design, 31(6), 2932-2941.

[14]. Karana, E., Pedgley, O., & Rognoli, V. (2013). Materials Experience: Fundamentals of Materials and Design. Butterworth-Heinemann.

[15]. Miller. W., & J. Walkowski. (2004). Qualitative Research Online. Madison, USA: Research Publishers LLC.

[16]. Milton, A., & Rodgers, P. (2013). Research Methods for Product Design. London: Laurence King Publishing Limited.

[17]. Pedgley, O. (1999). Industrial designers' attention to materials and manufacturing processes: Analyses at macroscopic and microscopic levels (Doctoral Thesis, Loughborough University).

[18]. Schifferstein, H. N. J., & Hekkert, P. (2008). Product Experience. San Diego, CA: Elsevier Science.

[19]. Statista. (2017). Consumer Electronics (CE) revenue in the United Kingdom (UK) from 3^rd quarter 2012 to 1^st quarter 2016 (in million GBP). Retrieved from https://www.statista. com/statistics/274833/consumer-electronics-ce-revenuein- the-united-kingdom-uk/

[20]. Tang, T., & Bharma, T. A., (2009). Understanding consumer behaviour to reduce environmental impacts through sustainable product design In: Undisciplined! Proceedings of the Design Research Society Conference. Sheffield, Sheffield Hallam University: Sheffield.

[21]. van Kesteren, I. E. H., Stappers, P. J., & De Bruijn, J. C. M. (2007). Materials in products selection: Tools for including user-interaction in materials selection. International Journal of Design, 1(3), 41-55.

[22]. Wengraf, T., (2001). Qualitative Research Interviewing. London: Sage Publications, Inc.

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Research Paper

Optical and Charge Transport Characterization of Thermally Evaporated 3,5-Bis(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole Thin Films for ETL Applications in Optoelectronic Devices

Gurpreet Singh* , Ramanpreet Kaur Aulakh, Sameer Kalia*, Neerja Sharma****

* Assistant Professor, Department of Physics, Guru Nanak Dev University College, Narot Jaimal Singh, Pathankot, Punjab, India.

Assistant Professor, Department of Physics, Guru Nanak Dev University College, Patti, Tarn Taran, Punjab, India.

* Associate Professor, Department of Physics, DAV College, Amritsar, Punjab, India.

**** Assistant Professor, Department of Physics, DAV College, Amritsar, Punjab, India.

Singh, G., Aulakh, R. K.,Kalia, S. and Sharma, N.(2018). Optical and Charge Transport Characterization of Thermally Evaporated 3,5-Bis(4-Tert-Butylphenyl)-4-Phenyl-4h-1,2,4-Triazole Thin Films for ETL Applications in Optoelectronic Devices. i-manager’s Journal on Material Science, 6(2), 22-29. https://doi.org/10.26634/jms.6.2.14413

Abstract

This paper presents the surface morphological, optical and charge transport characterization of thermally evaporated thin film of organic material, namely 3, 5-Bis (4-tert-butylphenyl)-4-phenyl-4H-1, 2, 4-triazole (abbreviated as BBPT) prepared by well-known thermal evaporation technique, to be applied as an electron transport material in optoelectronic devices. Carrier mobility and AC conductivity are estimated from frequency dependent admittance -5 characterization performed over a single layer device having structure ITO/ BBPT /Al and are found in the range 5.17 x 10^-5 cm² V^-1s^-1 and 4.83575 × 10^-6 ohm^-1 m^-1, respectively. Various electrical parameters are calculated from charge transport
characterization of ITO/ BBPT /Al device. Results of this work demonstrated that the conduction mechanism is in good correlation with the theory of hopping conduction in amorphous materials and the material studied have a potential application as an Electron Transport Layer (ETL) material in optoelectronic devices.

References

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Research Paper

Study of Diffuse Phase Transition in Co Doped Ba (Ti_0.85 Sn_0.15)O₃

Sindhu Singh*

*Assistant Professor, Department of Physics and Electronics, Dr. Rammanohar Lohia Avadh University, Faizabad, Uttar Pradesh, India.

Singh, S.(2018). Study of Diffuse Phase Transition in Co Doped Ba (Ti_0.85 Sn_0.15)O₃. i-manager’s Journal on Material Science, 6(2), 30-35. https://doi.org/10.26634/jms.6.2.14683

Abstract

In the present paper, effect of cobalt (Co) substitution on dielectric behavior of Ba(Ti_0.85 Sn_0.15)O₃ , which exhibits a broad maxima near room temperature in its ε' vs. T plots has been studied. Compositions with x = 0.01 and 0.03 in the system Ba(Ti_0.85-xCo_x Sn_0.15)O₃ were prepared by solid state ceramic method. Dielectric properties of the compositions were studied using Novocontrol α-S High Resolution dielectric analyzer as a function of temperature in the frequency range 1 Hz-1 MHz. Both the compositions (x = 0.01 and 0.03) exhibited a diffuse phase transition behavior similar to x = 0.00. Diffuseness of phase transition was determined by full width at half maxima (FWHM) in ε' vs. T plots. FWHM increases with increasing cobalt substitution. In hysteresis loop measurement, a decrease in coercivity and remanent polarization has been found with increasing Co concentration.

References

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Research Paper

Multi-Layer Low Conduction Roof

G. Sathish Pandian* , T. Susinthran, V. Siva*, R. Tamil Stalin**, A. Vasanth Emil Richardson*, V. Nirmal Kannan****

* Associate Professor, Department of Mechanical Engineering, VSB Engineering College, Karur, Tamil Nadu, India.

Service Engineer, Kobelco Excavators, Coimbatore, Tamil Nadu, India.

* Graduate, Department of Mechanical Engineering, VSB Engineering College, Karur, Tamil Nadu, India.

** Associate Operator, Calsonic Kansei Motherson Auto Products Private Limited, Chennai, Tamil Nadu, India.

* ME Scholar, Automotive Engineering, PSG College of Technology, Coimbatore, Tamil Nadu, India.

**** Professor, Department of Mechanical Engineering, VSB Engineering College, Karur, Tamil Nadu, India.

Pandian, G.S., Susintharan, T., Siva, V., Stalin, R. T., Richardson, A. V. E., and Kannan, V. N. (2018). Multi-Layer Low Conduction Roofi-manager’s Journal on Material Science, 6(2), 36-48. https://doi.org/10.26634/jms.6.2.14325

Abstract

This paper deals with the study of materials and its impact on safety and temperature in the buildings. The materials considered for this study are multi layers; natural fiber, metal foil, sheet metal, and thermoplastics. The properties of the materials considered are varied depending upon the usage. The idea behind the selection of the materials is to regulate the temperature of the buildings. In the current scenario of the world, population is facing more environmental issues like global warming, green house effect, pollution, ozone depletion, etc. Humans suffer more due to rise in temperature, so they feel better even inside the house. To avoid such climate disaster, roofing system will be helpful. By taking actions for materials changes, it leads to perfect roofing system and it will provide benefit to the living people. These issues can be overcome by replacing alternate existing roof systems. The binominal difference from older roof system over this roof system is much preferable for more protective shelter. Now, people prefer only the popular roofing system like asbestos sheet metals that are safe and preventive, but they are always harmful than other roof systems. This paper have also discussed one of the alternate roofing systems with multi layer. The main objective of this multi layer low conduction roof is to maintain room temperature (25 ^oC - 29 ^oC) at any weather condition and it can block incoming harmful solar radiation from sunlight. These multilayer roofs are also suitable for industrial and residential areas.

References

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Review Paper

Experimental and Simulation Studies in Fabricating Micro-Holes Using Electro Chemical Discharge Machining Process

C. S. Jawalkar *

* Associate Professor, Department of Production and Industrial Engineering, Punjab Engineering College, Chandigarh, India.

Jawalkar, C. S. (2018). Experimental and Simulation Studies in Fabricating Micro-Holes Using Electro Chemical Discharge Machining Process. i-manager’s Journal on Material Science, 6(2), 49-54. https://doi.org/10.26634/jms.6.2.14328

Abstract

This paper presents the study and analysis of data obtained through ECDM (Electro Chemical Discharge Machining) process. In the last few decades, it has been evidenced that design of experiment techniques have become more popular and a remarkable achievement on this has been accredited to Dr. Genechi Taguchi for his advent of these techniques providing the researchers with a valuable tool to use for all purposes according to the needs of the experimenter. The paper describes a case study on Electro chemical discharge machining process, used in machining fine micro-holes on borosilicate glass slides. The results of these experiments related to material removal have been analyzed using design of experiments technique, using the standard orthogonal array L₉ and further these results have been computed through simulation using neural networks, i.e., Adaptive Neuro Fuzzy Interface System (ANFIS). The results suggest an error up-to 3.1% and it can be helpful to predict values within the experimental range and extrapolate the trends and in-between values.

References

[1]. Amandeep & Jawalkar C. S. (2017). A review on machining of non conductive ceramics through ECDM. International Journal of Scientific Research and Development, 5 (4), 1298-1300.

[2]. Azad, M. S., & Puri, A. B. (2012). Simultaneous optimisation of multiple performance characteristics in micro-EDM drilling of titanium alloy. The International Journal of Advanced Manufacturing Technology, 61(9-12), 1231-1239.

[3]. Barker T. B. (1985). Quality by Experimental Design. Marcel Dekker, Inc., New York.

[4]. Caydas, U., Hascalik, A., & Ekici, S. (2009). An Adaptive Neuro-Fuzzy Inference System (ANFIS) model for wire-EDM. Expert Systems with Applications, 36(3), 6135-6139.

[5]. Ekici, B. B., & Aksoy, U. T. (2011). Prediction of building energy needs in early stage of design by using ANFIS. Expert Systems with Applications, 38(5), 5352-5358.

[6]. Goud, M., Sharma, A. K., & Jawalkar, C. (2016). A review on material removal mechanism in electrochemical discharge machining (ECDM) and possibilities to enhance the material removal rate. Precision Engineering, 45, 1-17.

[7]. GuNeri, A. F., Ertay, T., & YuCel, A. (2011). An approach based on ANFIS input selection and modeling for supplier selection problem. Expert Systems with Applications, 38(12), 14907-14917.

[8]. Jawalkar, C. S., Sharma, A. K., & Kumar, P. (2012). Micromachining with ECDM: Research potentials and experimental investigations. International Journal of Mechanical and Aerospace Engineering, 6, 7-12.

[9]. Jawalkar, C. S., Sharma, A. K., & Kumar, P. (2011). Experimental investigations on performance of ECDM using design of experiment approach. i-manager's Journal on Mechanical Engineering, 1(3), 24-29.

[10]. Joshi, S. N., & Pande, S. S. (2011). Intelligent process modeling and optimization of die-sinking electric discharge machining. Applied Soft Computing, 11(2), 2743-2755.

[11]. Mellit, A., & Kalogirou, S. A. (2011). ANFIS-based modelling for photovoltaic power supply system: A case study. Renewable Energy, 36(1), 250-258.

[12]. Ross, P. J. (1996). Taguchi Techniques for Quality Engineering: Loss Function, Orthogonal Experiments, nd Parameter and Tolerance Design, 2 Edition, McGraw-Hill, New York.

[13]. Roy, R. K. (2010). A primer on the Taguchi method. Society of Manufacturing Engineers.

[14]. Walpole, R. E., Myers, R. H., Myers, S. L., & Ye, K. (2016). Probability and Statistics for Engineers and Scientists, Ninth Edition. Amazon Publishers.

i-manager's Journal on Material Science (JMS)

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Volume 6 Issue 2 July - September 2018

Geometry Structures and Electronic Properties on 2,2-Dimenthyl-N-(phenylsulfonyl)acetamide using Density Functional Theory

S. M. Wang* , P. L. Toh**

* PG Scholar, Engineering Science, University Tunku Abdul Rahman, Malaysia. ** Assistant Professor, Faculty of Engineering and Green Technology, Universiti Tunku Abdul Rahman, Malaysia.

Wang, S.M., and Toh, P.L. (2018). Geometry Structures and Electronic Properties on 2,2-Dimenthyl-N-(Phenylsulfonyl)Acetamide Using Density Functional Theory. i-manager’s Journal on Material Science, 6(2), 1-7. https://doi.org/10.26634/jms.6.2.14644

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Impact of Material Selection on Consumer Electronic Product Design

Tom Page*

*Associate Professor Design, Department of Product Design, Nottingham Trent University, England.

Page, T. (2018). Impact of Material Selection on Consumer Electronic Product Design. i-manager’s Journal on Material Science, 6(2), 8-21. https://doi.org/10.26634/jms.6.2.14330

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Optical and Charge Transport Characterization of Thermally Evaporated 3,5-Bis(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole Thin Films for ETL Applications in Optoelectronic Devices

Gurpreet Singh* , Ramanpreet Kaur Aulakh**, Sameer Kalia***, Neerja Sharma****

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Study of Diffuse Phase Transition in Co Doped Ba (Ti0.85 Sn0.15)O3

Sindhu Singh*

*Assistant Professor, Department of Physics and Electronics, Dr. Rammanohar Lohia Avadh University, Faizabad, Uttar Pradesh, India.

Singh, S.(2018). Study of Diffuse Phase Transition in Co Doped Ba (Ti0.85 Sn0.15)O3. i-manager’s Journal on Material Science, 6(2), 30-35. https://doi.org/10.26634/jms.6.2.14683

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Multi-Layer Low Conduction Roof

G. Sathish Pandian* , T. Susinthran**, V. Siva***, R. Tamil Stalin****, A. Vasanth Emil Richardson*****, V. Nirmal Kannan******

Pandian, G.S., Susintharan, T., Siva, V., Stalin, R. T., Richardson, A. V. E., and Kannan, V. N. (2018). Multi-Layer Low Conduction Roofi-manager’s Journal on Material Science, 6(2), 36-48. https://doi.org/10.26634/jms.6.2.14325

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Experimental and Simulation Studies in Fabricating Micro-Holes Using Electro Chemical Discharge Machining Process

C. S. Jawalkar *

* Associate Professor, Department of Production and Industrial Engineering, Punjab Engineering College, Chandigarh, India.

Jawalkar, C. S. (2018). Experimental and Simulation Studies in Fabricating Micro-Holes Using Electro Chemical Discharge Machining Process. i-manager’s Journal on Material Science, 6(2), 49-54. https://doi.org/10.26634/jms.6.2.14328

Abstract

References

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* PG Scholar, Engineering Science, University Tunku Abdul Rahman, Malaysia.

** Assistant Professor, Faculty of Engineering and Green Technology, Universiti Tunku Abdul Rahman, Malaysia.

Gurpreet Singh* , Ramanpreet Kaur Aulakh, Sameer Kalia*, Neerja Sharma****

Study of Diffuse Phase Transition in Co Doped Ba (Ti_0.85 Sn_0.15)O₃

Singh, S.(2018). Study of Diffuse Phase Transition in Co Doped Ba (Ti_0.85 Sn_0.15)O₃. i-manager’s Journal on Material Science, 6(2), 30-35. https://doi.org/10.26634/jms.6.2.14683

G. Sathish Pandian* , T. Susinthran, V. Siva*, R. Tamil Stalin**, A. Vasanth Emil Richardson*, V. Nirmal Kannan****