Faculty Publications

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    Directional anisotropy, finite size effect and elastic properties of hexagonal boron nitride
    (Institute of Physics Publishing helen.craven@iop.org, 2016) Thomas, S.; Ajith, K.M.; Valsakumar, M.C.
    Classical molecular dynamics simulations have been performed to analyze the elastic and mechanical properties of two-dimensional (2D) hexagonal boron nitride (h-BN) using a Tersoff-type interatomic empirical potential. We present a systematic study of h-BN for various system sizes. Young's modulus and Poisson's ratio are found to be anisotropic for finite sheets whereas they are isotropic for the infinite sheet. Both of them increase with system size in accordance with a power law. It is concluded from the computed values of elastic constants that h-BN sheets, finite or infinite, satisfy Born's criterion for mechanical stability. Due to the the strong in-plane sp2 bonds and the small mass of boron and nitrogen atoms, h-BN possesses high longitudinal and shear velocities. The variation of bending rigidity with system size is calculated using the Foppl-von Karman approach by coupling the in-plane bending and out-of-plane stretching modes of the 2D h-BN. © 2016 IOP Publishing Ltd.
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    Empirical potential influence and effect of temperature on the mechanical properties of pristine and defective hexagonal boron nitride
    (Institute of Physics Publishing helen.craven@iop.org, 2017) Thomas, S.; Ajith, K.M.; Valsakumar, M.C.
    The major objective of this work is to present results of a classical molecular dynamics study to investigate the effect of changing the cut-off distance in the empirical potential on the stress-strain relation and also the temperature dependent Young's modulus of pristine and defective hexagonal boron nitride. As the temperature increases, the computed Young's modulus shows a significant decrease along both the armchair and zigzag directions. The computed Young's modulus shows a trend in keeping with the structural anisotropy of h-BN. The variation of Young's modulus with system size is elucidated. The observed mechanical strength of h-BN is significantly affected by the vacancy and Stone-Wales type defects. The computed room temperature Young's modulus of pristine h-BN is 755 GPa and 769 GPa respectively along the armchair and zigzag directions. The decrease of Young's modulus with increase in temperature has been analyzed and the results show that the system with zigzag edge shows a higher value of Young's modulus in comparison to that with armchair edge. As the temperature increases, the computed stiffness decreases and the system with zigzag edge possesses a higher value of stiffness as compared to the armchair counterpart and this behaviour is consistent with the variation of Young's modulus. The defect analysis shows that presence of vacancy type defects leads to a higher Young's modulus, in the studied range with different percentage of defect concentration, in comparison with Stone-Wales defect. The variations in the peak position of the computed radial distribution function reveals the changes in the structural features of systems with zigzag and armchair edges in the presence of applied stress. © 2017 IOP Publishing Ltd.
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    Effect of ripples on the finite temperature elastic properties of hexagonal boron nitride using strain-fluctuation method
    (Academic Press, 2017) Thomas, S.; Ajith, K.M.; Valsakumar, M.C.
    This work intents to put forth the results of a classical molecular dynamics study to investigate the temperature dependent elastic constants of monolayer hexagonal boron nitride (h-BN) between 100 and 1000 K for the first time using strain fluctuation method. The temperature dependence of out-of-plane fluctuations (ripples) is quantified and is explained using continuum theory of membranes. At low temperatures, negative in-plane thermal expansion is observed and at high temperatures, a transition to positive thermal expansion has been observed due to the presence of thermally excited ripples. The decrease of Young's modulus, bulk modulus, shear modulus and Poisson's ratio with increase in temperature has been analyzed. The thermal rippling in h-BN leads to strong anharmonic behaviour that causes large deviation from the isotropic elasticity. A detailed study shows that the strong thermal rippling in large systems is also responsible for the softening of elastic constants in h-BN. From the determined values of elastic constants and elastic moduli, it has been elucidated that 2D h-BN sheets meet the Born's mechanical stability criterion in the investigated temperature range. The variation of longitudinal and shear velocities with temperature is also calculated from the computed values of elastic constants and elastic moduli. © 2017 Elsevier Ltd
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    A high efficiency on-chip reconfigurable Doherty power amplifier for LTE communication cells
    (John Wiley and Sons Inc. P.O.Box 18667 Newark NJ 07191-8667, 2018) Kumar, R.; Kanuajia, B.K.; Dwari, S.; Kumar, S.; Song, H.
    In this paper, a high efficiency on-chip reconfigurable Doherty power amplifier (DPA) with proposed topology is proposed for LTE or 4G communication cells. The proposed DPA consists of input driver topology, hybrid coupler, asymmetric amplifiers, and 1:1 balun filtered network. The proposed input driver circuit provides wide amplified signal operation within range of 2.3GHz to 6GHz with flat gain of 33 dB. The amplified signal is unsteadily divided into two paths toward the carrier and the power amplifier by 900 hybrid couplers and demonstrates 27.6 dB and 28.3 dB of gain along with 83.2% and 84.5% of power added efficiency at average output power of 40 dBm. The high efficiency and almost flatness in gain stability of proposed DPA providing better solution in order to overcome the interference and the broadband issues for LTE communication cells. The balun-filtered network is employed for combined the two outputs of carrier and peak amplifiers that provides more uniform desired band of operation in the frequency responses. The proposed DPA circuit are implemented and optimized by using advanced design RF simulator platform. The fabricated chip is made by using 0.13 ?m GaN HEMT on Si-Nitride monolithic microwave integrated circuit die process. The fabricated chip of DPA provides 85% of PAE with 28 dB gain which are made close agreement with simulation results. The size of chip is 2.8*1.2mm2 which occupies less die area as compared to existing DPAs. © 2018 Wiley Periodicals, Inc.
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    Influence of particulate surface treatment on physical, mechanical, thermal, and dielectric behavior of epoxy/hexagonal boron nitride composites
    (John Wiley and Sons Inc. cs-journals@wiley.com, 2020) Agrawal, A.; Chandraker, S.
    Physical, mechanical, thermal, and dielectric behavior of surface modified hexagonal boron nitride (hBN) in epoxy matrix was investigated in this paper. Effective treatment of microsize boron nitride involved silane coupling agent, (?-aminopropyl)triethoxysilane such that the coating resulted from the treatment amounted to 2% of the weight of silane coupling agent of the treated BN. The present work revealed that the chemical treatment of BN surface could effectively enhance the adhesion between matrix and filler material. The dispersion and wettability of the BN powder in epoxy matrix after surface treatment were improved. These imparted improved physical and excellent mechanical and thermal properties to the developed material. The experimental study on thermal properties of fabricated composites indicated that incorporation of modified particles exhibits improved glass transition temperature. As filler loading increases, coefficient of thermal expansion of composite decreases which further decreases when treated filler were used. Further, appreciable improvement in thermal conductivity is obtained when treated hBN is used in place of untreated one. The dielectric properties are investigated for wide frequency range and filler content and found to be increased with hBN content and decrease with frequency enhancement. Furthermore, mechanical properties of such composites were also largely enhanced when treated fillers were used. With modified properties, the presently developed material is suitable for microelectronic applications. © 2019 Society of Plastics Engineers
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    Strain-induced work function in h-BN and BCN monolayers
    (Elsevier B.V., 2020) Thomas, S.; Manju, M.S.; Ajith, K.M.; Lee, S.U.; Asle Zaeem, M.
    In the last decade, research activities of semiconducting two-dimensional (2D) electronic materials has received widespread attention, and the work function analysis is a significant parameter for investigating the feasible optoelectronic activity of these 2D materials. Here, we report a comparative study using ab-inito based density functional theory calculations to examine the impact of uniaxial and biaxial tensile and compressive strains on the work functions of boron nitride (h-BN) and boron carbonitride (BCN) monolayers. Unlike h-BN which has a large bandgap of 5 eV, the computed direct bandgap of BCN monolayer is 1.18 eV, which is beneficial for use in optoelectronic applications. We noticed that the calculated work function of both h-BN and BCN decreases (increases) continuously by increasing the compressive (tensile) strain irrespective of the strain directions. The observed variations in the work function in both h-BN and BCN are found to be related to the modulation of Fermi energy under compressive and tensile strains. The change in bond length between the atoms changes the total energy as a function of applied strain. Moreover, the direct bandgaps of both h-BN and BCN remain unaffected within the studied range of compressive and tensile strains, which can be beneficial for their use in photovoltaic devices. We also noticed that elastic modulus and Poisson's ratio are found to be anisotropic and decrease (increase) with the application of uniaxial tensile (compressive) strain. In addition, both h-BN and BCN possess high longitudinal and transverse wave velocities. The insight gained from this study will stimulate the research on BCN in view of relevant technological applications in the fields of nanoelectronics and optoelectronics. © 2020 Elsevier B.V.
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    Minimum Quantity Lubrication through the micro-hole textured PCD and PCBN inserts in the machining of the Ti–6Al–4V alloy
    (Elsevier Ltd, 2021) Rao, C.M.; Sachin, B.; Rao, S.S.; Herbert, M.A.
    A novel cutting tool development with the micro-hole textures on the flank and rake face of the cutting inserts helps in the reduction of tribological properties. The machining of Ti–6Al–4V alloy leads to some challenges during machining namely higher cutting temperature, and rapid tool wear. In this research, a comparison study has been performed with the new cutting tool inserts with surface modification such as Polycrystalline Cubic Boron Nitride (PCBN) and Polycrystalline Diamond (PCD) inserts for high-speed machining of Ti–6Al–4V alloy. The influence of the micro-hole textured insert on the machining of the Ti–6Al–4V alloy was investigated with the Minimum Quantity Lubrication (MQL) method. Compared to modified PCBN inserts, modified PCD inserts showed better results in all the performance characteristics. © 2020 Elsevier Ltd
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    Effect of cryogenic grinding on fatigue life of additively manufactured maraging steel
    (MDPI AG, 2021) Balan, A.S.S.; Kannan, C.; Kumar, A.V.; Hariharan, H.; Pimenov, D.Y.; Giasin, K.; Nadolny, K.
    Additive manufacturing (AM) is replacing conventional manufacturing techniques due to its ability to manufacture complex structures with near?net shape and reduced material wastage. However, the poor surface integrity of the AM parts deteriorates the service life of the components. The AM parts should be subjected to post?processing treatment for improving surface integrity and fatigue life. In this research, maraging steel is printed using direct metal laser sintering (DMLS) process and the influence of grinding on the fatigue life of this additively manufactured material was investigated. For this purpose, the grinding experiments were performed under two different grinding environments such as dry and cryogenic conditions using a cubic boron nitride (CBN) grinding wheel. The results revealed that surface roughness could be reduced by about 87% under cryogenic condition over dry grinding. The fatigue tests carried out on the additive manufactured materials exposed a substantial increase of about 170% in their fatigue life when subjected to cryogenic grinding. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.
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    A 8–12 GHz, 44.3 dBm RF output class FF?1 DPA using quad-mode coupled technique for new configurable front-end 5G transmitters
    (Springer, 2021) Kumar, R.; Dwari, S.; Kumar Kanaujia, B.K.; Kumar, S.; Song, H.
    This paper presents a high-efficiency Class FF - 1 DPA using the quad-mode coupled technique for new configurable front-end 5G transmitters. The proposed DPA consists of carrier PA, main PA, input–output matching network and hybrid power network (HPN). The HPN includes a quad-mode coupled technique which is four-section U-shaped transmission line. The HPN is used for even–odd mode impedance analysis to ensures the high-selectivity of output power and achieve a wideband response in the presence of harmonic control conditions. The optimum harmonic impedance is analyzed for the desired band to achieve high output power and efficiency. The DPA circuit is fabricated by using 0.25 µm GaN HEMT on silicon nitride monolithic microwave integrated circuit die process. At maximum output power level of 44.3 dBm, the delivered power-added efficiency (PAE) of 64.3–67.3% and drain efficiency (DE) of 71.7–73.7% at even–odd mode operation are achieved with a gain of 13.0–14.3 dB. For the output power level of 39.045 dBm corresponding to 9 dB output back-off (OBO), the drain efficiency lies between 55–62% with 73% fractional bandwidth. All the demonstrated transmission parameters are working in the band of 8–12 GHz. The size of the chip is 2.8 × 1.9 mm2 and it occupies less die area as compared to the existing DPAs. © 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.
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    An experimental investigation of epoxy-based hybrid composites with hexagonal boron nitride and short sisal fiber as reinforcement for high performance microelectronic applications
    (John Wiley and Sons Inc, 2022) Agrawal, A.; Chandraker, S.
    In the present article, an investigation is presented on epoxy-based composites where the discontinuous phases are microsized boron nitride and sisal fiber (SF). Both the reinforcing materials are surface modified before incorporating them into the epoxy matrix. Hexagonal boron nitride (hBN) surface is treated by silane-coupling agent, whereas the aqueous NaOH solution is used to modify the surface of SF. The effect of fillers on the physical, mechanical, thermal, and dielectric properties of hybrid composites is studied through experimentation. The result shows that the inclusion of hBN increases the thermal conductivity of epoxy appreciably and dielectric constant marginally, while the inclusion of SF reduces the thermal conductivity marginally and dielectric constant appreciably. The maximum thermal conductivity of 1.88 W/m-K is obtained for the combination of 30 wt% hBN and 3 wt% SF. For the same combination, the dielectric constant is 4.57 at 1 GHz, which is almost similar to neat epoxy. Also, other properties like compressive strength, hardness, glass-transition temperature, and coefficient of thermal expansion improve when combinations of ceramic filler and natural fiber were incorporated in the epoxy matrix. Due to outstanding comprehensive properties, epoxy/hBN/SF composites found potential application in wide microelectronic applications. © 2021 Society of Plastics Engineers.