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

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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
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Effect of Donor Number of Plasticizers on Conductivity of Polymer Electrolytes Containing NH₄F
PMMA Based Polymer Gel Electrolyte Containing LiCF₃SO₃

Volume 8 Issue 2 July - September 2020

Research Paper

FT-IR and Electronic Properties Investigations on Theophylline Molecular System: Density Functional Theory Calculation

Suh-Miin Wang* , Lee-Muei Chng , Pek-Lan Toh *

*-*** Engineering and Green Technology, Universiti Tunku Abdul Rahman, Kampar, Malaysia.

Wang, S. M., Chng, L. M., and Toh, P. L. FT-IR and Electronic Properties Investigations on Theophylline Molecular System: Density Functional Theory Calculation. i-manager's Journal on Material Science, 8(2), 1-8. https://doi.org/10.26634/jms.8.2.16456

Abstract

In this work, the Density Functional Theory (DFT) quantum mechanics computational method has been conducted on Theophylline molecular system. DFT/B3LYP/6-31G and DFT/B3LYP/6-31G** level of theories were implemented in the whole calculations. Theophylline (TP) compound chosen has the chemical formula of C₇H₈N₄O₂ and lattice parameters of a=24.612 Å, b=3.8302 Å, c=8.5010 Å and α=β=γ=90°. Geometry optimization calculation has been performed to obtain the equilibrium structure of C₇H₈N₄O₂ molecular system. Moreover, the optimized geometry structure has been used to calculate the electronic properties (i.e., total energies, frontier molecular orbital energies, atomic charges, and others) of the studied molecular system. The calculated total energies obtained from DFT/B3LYP/6-31G method is -17438.43 eV, while from DFT/B3LYP/6-31G** method is -17444.53 eV. The HOMO-LUMO energy gaps of C₇H₈N₄O₂ molecular system are 5.00 eV and 5.12 eV respectively for DFT/B3LYP/6-31G and DFT/B3LYP/6-31G** level of calculations. The molecular electrostatic potential (MEP) mapped plots obtained from both B3LYP/6-31G and B3LYP/6-31G** methods presented that the regions around the atoms of O₁ and O₂ possess the negative electrostatic potentials, while the positive electrostatic potential falls on the region of H₇ atom. In addition, Fourier Transform Infrared (FT-IR) calculation is also included in this study. All the findings of vibrational frequencies show no surprising feature and has been in accordance with the recorded data.

References

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[5]. Demircioğlu, Z., Kaştaş, Ç. A., & Büyükgüngör, O. (2015). Theoretical analysis (NBO, NPA, Mulliken Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui function analysis) of (E)-2-((4-hydroxy-2-methylphenylimino) methyl)- 3-methoxyphenol. Journal of Molecular Structure, 1091, 183-195.

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[15]. Rahmani, R., Boukabcha, N., Chouaih, A., Hamzaoui, F., & Goumri-Said, S. (2018). On the molecular structure, vibrational spectra, HOMO-LUMO, molecular electrostatic potential, UV–Vis, first order hyperpolarizability, and thermodynamic investigations of 3-(4-chlorophenyl)-1- (1yridine-3-yl) prop-2-en-1-one by quantum chemistry calculations. Journal of Molecular Structure, 1155, 484- 495.

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[19]. Shafieyoon, P., Mehdipour, E., & Mary, Y. S. (2019). Synthesis, characterization and biological investigation of glycine-based sulfonamide derivative and its complex: Vibration assignment, HOMO–LUMO analysis, MEP and molecular docking. Journal of Molecular Structure, 1181, 244-252.

[20]. Zainuri, D. A., Arshad, S., Khalib, N. C., Razak, I. A., Pillai, R. R., Sulaiman, S. F., ... & Panicker, C. Y. (2017). Synthesis, XRD crystal structure, spectroscopic character ization (FT-IR, 1H and 13C NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular dynamics simulations and evaluation of antimicrobial and antioxidant activities of a novel chalcone derivative,(E)-1-(4-bromophenyl)-3-(4-iodophenyl) prop-2-en-1-one. Journal of Molecular Structure, 1128, 520-533.

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Research Paper

Electron Paramagnetic Resonance (EPR) and Optical Absorption Spectra of Cu²⁺ Ions in (30-X) NaF-xAl₂ O₃ - 69B₂O₃ -1Cuo Glasses

B. Ashok* , Abdul Hameed, B. Srinivas*, Gokarakonda Ramdevudu **, M. Narasimha Chary *, Md. Shareefuddin ****

,,*- Department of Physics, Osmania University, Hyderabad, Telangana, India.

Department of Physics, Nizam College, Hyderabad, Telangana, India.

** Department of Physics, Vasavi College of Engineering, Hyderabad, Telangana, India.

Ashok, B., Hameed, A., Srinivas,B., Ramdevudu, G., Chary, M. N., and Shareefuddin, M. (2020). Electron Paramagnetic Resonance (EPR) and Optical Absorption Spectra of Cu²⁺ Ions in (30-X) NaF-xAl₂ O₃ - 69B₂O₃ -1Cuo Glasses. i-manager's Journal on Material Science, 8(2), 9-15. https://doi.org/10.26634/jms.8.2.16193

Abstract

Sodium fluoro alumino borate glasses with composition (30-x) NaF-xAl₂O₃-69B₂O₃-1CuO (where x=0, 5, 7, 10, 12, 15 mol %) were prepared by melt quenching method in which Cu²⁺ ions are acting as spin probe. EPR spectra were recorded at X - band frequencies with 100 kHz field modulation at room temperature and its resonance peaks shows Cu²⁺ ions characteristics. From calculated spin Hamiltonian parameters, it has been observed that g_∥>g_⊥>g_e (g_e =2.0023 for free electron) and A_∥ >A_⊥ indicated that the site around transition metal ion (TM) i.e., Cu²⁺ion is tetragonally distorted octahedral and its ground state is d²_x - y² orbital (²B_1g state). The number of unpaired Cu²⁺ ion spins (N_i) participating in resonance and the paramagnetic susceptibility (χ) were also evaluated. Glass composition is also a important factor and its effect shows the variation in spin Hamiltonian parameters. A middle broad absorption (²B_1g→ ²B_2g) band is observed at 770 nm in the optical spectra. Calculated bonding coefficient revealed the bonding nature between TM ion and its ligand.

References

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[5]. Ahmed, M. R., Phani, A. L., Narsimha Chary, M., & Shareefuddin, M. (2018, May). Optical and EPR studies of barium alumino borate glasses containing Cu2+ ions. In AIP Conference Proceedings (Vol. 1953, No. 1, p. 090037). NewYork: AIP Publishing LLC. https://doi.org/10.1063/1.503 2884

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Research Paper

Optimization of Turning Parameters by using Taguchi Method and Analysis of Variance (ANOVA) for Turning of Aluminium Alloy Al7068 With Varying Zinc Composition

Amardeepak M.* , Narayan B Doddapattar , Sanjeeva Murthy *

- Cambridge Institute of Technology (North Campus), Bangalore, Karnataka, India.

Department of Mechanical Engineering, Sri Siddhartha Institute of Technology, Tumkur, Karnataka, India.

Amardeepak, M., Doddapattar, N. B., and Murthy, S. (2020). Optimization of Turning Parameters by using Taguchi Method and Analysis of Variance (ANOVA) for Turning of Aluminium Alloy Al7068 With Varying Zinc Composition. i-manager's Journal on Material Science, 8(2), 16-22. https://doi.org/10.26634/jms.8.2.16971

Abstract

Aluminium and its alloys have high strength to weight ratio and are used for variety of applications like automobile industries, aerospace and structural applications, electronic circuits, etc. The manufacturing industry has witnessed significant increase in the use of aluminium alloys due to their unique characteristics of good strength and light weight. Other important properties of aluminium alloys include high thermal and electrical conductivity, good corrosion resistance, low melting point, excellent formability, etc. The present work deals with optimization of process parameters for turning of aluminium alloy Al7068 by varying the composition of Zinc in the alloy. There are different methods for process parameter optimization like Taguchi technique, ANOVA method, fuzzy logic, Response Surface Methodology, etc., but Taguchi technique and ANOVA method are widely used. Taguchi method helps to determine optimal condition with lesser number of experiments. ANOVA approach gives which process parameters have a significant influence on the machining response/outputs. Turning experiments were conducted on a ULTRA LYNX CNC machine. The coolant Ipol Aqua cut 125 has been used for turning operation. Taguchi’s L16 Orthogonal Array has been used to conduct turning experiments on the aluminium Al7068 alloy with varying Zn% composition to get the optimized values of the turning parameters. The turning parameters selected were feed, speed, depth of cut, tool nose radius and material composition which were varied in 4 levels. ANOVA (Analysis of Variance) has been performed to validate the results. The percentage contribution of the turning process parameters on machining outputs such as surface roughness, material removal rate, machining time, machining force and machining power has been determined. ANOVA results indicate that material composition has the highest contribution on surface roughness, material removal rate, machining time, machining force and machining power.

References

[1]. Aneiro, F. M., Coelho, R. T., & Brandao, L. C. (2008). Turning hardened steel using coated carbide at high cutting speeds. Journal of the Brazilian Society of Mechanical Sciences and Engineering, 30(2), 104-109. https://doi.org/10.1590/S1678-58782008000200002

[2]. Das, B., Rai, R. N., & Saha, S. C. (2013). Analysis of surface roughness on machining of Al-5Cu alloy in CNC lathe machine. International Journal of Research in Engineering and Technology, 2(9), 296-299.

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Review Paper

Significance of Chemical Treatment on the Performance of Natural Fiber: A Review

Makarand. B. Shirke * , S. N. Shelke **

* Pravara Rural Engineering College, Ahmednagar, Maharashtra, India.

** Sir Visvesvaraya Institute of Technology, Nashik, Maharashtra, India.

Shirke, M. B., and Shelke, S. N. (2020). Significance of Chemical Treatment on the Performance of Natural Fiber: A Review. i-manager's Journal on Material Science, 8(2), 23-28. https://doi.org/10.26634/jms.8.2.16291

Abstract

The present scenario in the advancements of materials is the development of composite material. Due to its properties like light weight, corrosion resistance, sustainability against load, ease to fabricate, biodegradability, etc., the composite materials are widely focused by researchers. Many researchers working in the growth of composite materials, used different natural fiber like jute, sisal, kenaf, wood flour, bamboo, etc. They encountered a problem regarding high moisture absorption property of the natural fiber. Due to this hydrophilic nature, bonding between matrix and fiber becomes poor and this reduces the mechanical and physical properties of composite material. To reduce the hydrophilic characteristic of natural fiber, different chemical treatment such as alkalization, acetylation, silane, maleated coupling agent, permanganate, peroxide, isocyanate, sodium chorite, plasma, stearic acid, triazine, fungal are used with different weight percentage concentration. The significance of these in the prepared material characteristics have been studied. Noticeable changes in the chemically treated natural fibers mechanical and physical properties are observed. The aim of this review paper is to focus on the importance of various chemical treatment in the application of natural fiber reinforcement for the better performance of composite materials.

References

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Review Paper

A Review on Brake Pad Friction Material

Premraj Joshi * , Bhaskar Varade **

*-** R. H. Sapat College of Engineering, Management Studies and Research, Nashik, Maharashtra, India.

Joshi, P., and Varade, B. (2020). A Review on Brake Pad Friction Material. i-manager's Journal on Material Science, 8(2), 29-39. https://doi.org/10.26634/jms.8.2.16293

Abstract

According to survey, the most replaceable or the most frequently worn out part of the vehicle is the brake pad. The present era is dominated by nano-materials. Researchers are forced to discover the potential of nano-particles in day to day application. Nanoparticle is used as composite material because of its intensive interaction with the matrix and the low wear surface of brake pad. Nanoparticle is used as filler in good quality non-asbestos organic (NAO) friction materials (FMs). However, the role of nano-particle in brake pad friction material is difficult due to less findings of nanoparticle in brake pad application. Three NAO friction material brake pads with same constituents but different constituent size of nano-particles were developed. One of the composite has been developed without nano-particle, while other two composites with 5% and 10% nano-particles were developed. These were characterized for mechanical, tribological and physical performance of friction materials. Performance parameters such as recovery ratio, fade ratio, wear resistance, etc., has been used to evaluate the performance of non-asbestos organic brake pad friction materials. Both testing result of the machine and data showed that almost all performance parameters of brake pad friction materials were considerably affected due to nanoparticles. It has been finally stated that nanoparticles have a potential to enhance performance of friction materials significantly.

References

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[2]. Aranganathan, N., & Bijwe, J. (2016). Comparative performance evaluation of NAO friction materials containing natural graphite and thermo-graphite. Wear, 358, 17-22.

[3]. Aranganathan, N., Mahale, V., & Bijwe, J. (2016). Effects of aramid fiber concentration on the friction and wear characteristics of non-asbestos organic friction composites using standardized braking tests. Wear, 354, 69-77. https://doi.org/10.1016/j.wear.2016.03.002

[4]. Baklouti, M., Cristol, A. L., Desplanques, Y., & Elleuch, R. (2015). Impact of the glass fibers addition on tribological behavior and braking performances of organic matrix composites for brake lining. Wear, 330, 507-514.

[5] Cai, P., Wang, Y., Wang, T., & Wang, Q. (2015). Effect of resins on thermal, mechanical and tribological properties of friction materials. Tribology International, 87, 1-10.

[6]. Eriksson, M., & Jacobson, S. (2000). Tribological surfaces of organic brake pads. Tribology International, 33(12), 817-827. https://doi.org/10.1016/S0301-679X(00) 00127-4

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[8]. Ho, S. C., Lin, J. C., & Ju, C. P. (2005). Effect of fiber addition on mechanical and tribological properties of a copper/phenolic-based friction material. Wear, 258(5-6), 861-869. https://doi.org/10.1016/j.wear.2004.09.050

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[12]. Kumar, M., & Bijwe, J. (2010b). Role of different metallic fillers in non-asbestos organic (NAO) friction composites for controlling sensitivity of coefficient of friction to load and speed. Tribology International, 43(5-6), 965- 974. https:/ /doi.org/10.1016/j.triboint.2009.12.062

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[14]. Lee, J. J., Lee, J. A., Kwon, S., & Kim, J. J. (2018). Effect of different reinforcement materials on the formation of secondary plateaus and friction properties in friction materials for automobiles. Tribology International, 120, 70- 79. https://doi.org/10.1016/j.triboint.2017.12.020

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Review Paper

Mechanical, Tribological and Corrosion Behaviour of Aluminium Alloys and Particulate Reinforced Aluminium or Aluminium Alloy Metal Matrix Composites - A Review

Murlidhar Patel* , Sushanta Kumar Sahu , Mukesh Kumar Singh *

,Department of Industrial and Production Engineering, Institute of Technology Guru Ghasidas Vishwavidyalaya (A Central University), Bilaspur, Chhattisgarh, India.

Department of Mechanical Engineering, National Institute of Science and Technology, Berhampur, Odisha, India.

Patel, M., Sahu, S. K., and Singh, M. K. (2020). Mechanical, Tribological and Corrosion Behaviour of Aluminium Alloys and Particulate Reinforced Aluminium or Aluminium Alloy Metal Matrix Composites - A Review. i-manager's Journal on Material Science, 8(2), 40-55. https://doi.org/10.26634/jms.8.2.16759

Abstract

This paper presents the survey of the particulate reinforced Aluminium Metal Matrix Composites (AMMCs) published in the past two decades. The properties of AMMCs are better than the base aluminium (Al) or its alloy matrix. Due to its advantageous properties it can be used in aerospace, automobile, sports, and marine application. This paper reported the pioneering work carried out by researchers in the field of Al alloys and particulate reinforced AMMCs mainly focusing on the mechanical, tribological and corrosion behaviour of various non-metallics (i.e. B₄C, SiC, Al₂O₃, fly ash, basalt, etc.)particulate reinforced AMMCs. The effects of weight or volume fraction and particles size of the reinforcement on the properties of AMMCs have been discussed in a brief manner. The stir casting process affects the properties and is the most commonly used method for the development of particulate reinforced Metal Matrix Composite (MMC) due to its simplicity and cost effectiveness.

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Volume 8 Issue 2 July - September 2020

FT-IR and Electronic Properties Investigations on Theophylline Molecular System: Density Functional Theory Calculation

Suh-Miin Wang* , Lee-Muei Chng **, Pek-Lan Toh ***

*-*** Engineering and Green Technology, Universiti Tunku Abdul Rahman, Kampar, Malaysia.

Wang, S. M., Chng, L. M., and Toh, P. L. FT-IR and Electronic Properties Investigations on Theophylline Molecular System: Density Functional Theory Calculation. i-manager's Journal on Material Science, 8(2), 1-8. https://doi.org/10.26634/jms.8.2.16456

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Electron Paramagnetic Resonance (EPR) and Optical Absorption Spectra of Cu2+ Ions in (30-X) NaF-xAl2 O3 - 69B2O3 -1Cuo Glasses

B. Ashok* , Abdul Hameed**, B. Srinivas***, Gokarakonda Ramdevudu ****, M. Narasimha Chary *****, Md. Shareefuddin ******

*,***,*****-****** Department of Physics, Osmania University, Hyderabad, Telangana, India. ** Department of Physics, Nizam College, Hyderabad, Telangana, India. **** Department of Physics, Vasavi College of Engineering, Hyderabad, Telangana, India.

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Optimization of Turning Parameters by using Taguchi Method and Analysis of Variance (ANOVA) for Turning of Aluminium Alloy Al7068 With Varying Zinc Composition

Amardeepak M.* , Narayan B Doddapattar **, Sanjeeva Murthy ***

*-** Cambridge Institute of Technology (North Campus), Bangalore, Karnataka, India. *** Department of Mechanical Engineering, Sri Siddhartha Institute of Technology, Tumkur, Karnataka, India.

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Significance of Chemical Treatment on the Performance of Natural Fiber: A Review

Makarand. B. Shirke * , S. N. Shelke **

* Pravara Rural Engineering College, Ahmednagar, Maharashtra, India. ** Sir Visvesvaraya Institute of Technology, Nashik, Maharashtra, India.

Shirke, M. B., and Shelke, S. N. (2020). Significance of Chemical Treatment on the Performance of Natural Fiber: A Review. i-manager's Journal on Material Science, 8(2), 23-28. https://doi.org/10.26634/jms.8.2.16291

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A Review on Brake Pad Friction Material

Premraj Joshi * , Bhaskar Varade **

*-** R. H. Sapat College of Engineering, Management Studies and Research, Nashik, Maharashtra, India.

Joshi, P., and Varade, B. (2020). A Review on Brake Pad Friction Material. i-manager's Journal on Material Science, 8(2), 29-39. https://doi.org/10.26634/jms.8.2.16293

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Mechanical, Tribological and Corrosion Behaviour of Aluminium Alloys and Particulate Reinforced Aluminium or Aluminium Alloy Metal Matrix Composites - A Review

Murlidhar Patel* , Sushanta Kumar Sahu **, Mukesh Kumar Singh ***

*,***Department of Industrial and Production Engineering, Institute of Technology Guru Ghasidas Vishwavidyalaya (A Central University), Bilaspur, Chhattisgarh, India. ** Department of Mechanical Engineering, National Institute of Science and Technology, Berhampur, Odisha, India.

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Suh-Miin Wang* , Lee-Muei Chng , Pek-Lan Toh *

Electron Paramagnetic Resonance (EPR) and Optical Absorption Spectra of Cu²⁺ Ions in (30-X) NaF-xAl₂ O₃ - 69B₂O₃ -1Cuo Glasses

B. Ashok* , Abdul Hameed, B. Srinivas*, Gokarakonda Ramdevudu **, M. Narasimha Chary *, Md. Shareefuddin ****

,,*- Department of Physics, Osmania University, Hyderabad, Telangana, India.

Department of Physics, Nizam College, Hyderabad, Telangana, India.

** Department of Physics, Vasavi College of Engineering, Hyderabad, Telangana, India.

Amardeepak M.* , Narayan B Doddapattar , Sanjeeva Murthy *

- Cambridge Institute of Technology (North Campus), Bangalore, Karnataka, India.

Department of Mechanical Engineering, Sri Siddhartha Institute of Technology, Tumkur, Karnataka, India.

* Pravara Rural Engineering College, Ahmednagar, Maharashtra, India.

** Sir Visvesvaraya Institute of Technology, Nashik, Maharashtra, India.

Murlidhar Patel* , Sushanta Kumar Sahu , Mukesh Kumar Singh *

,Department of Industrial and Production Engineering, Institute of Technology Guru Ghasidas Vishwavidyalaya (A Central University), Bilaspur, Chhattisgarh, India.

Department of Mechanical Engineering, National Institute of Science and Technology, Berhampur, Odisha, India.