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


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.

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.

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.

Research Paper

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

Abstract

In the present paper, effect of cobalt (Co) substitution on dielectric behavior of Ba(Ti0.85 Sn0.15)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(Ti0.85-x Cox Sn0.15)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.

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.

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.