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- 저자 : D. P. Rai (검색결과 6 건)
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Singh Y. T.,Patra P. K.,Obodo K. O.,Rai D. P. 한국탄소학회 2022 Carbon Letters Vol.32 No.2
We investigated the electronic and mechanical properties of single-walled carbon nanotubes (SWCNTs) with different tube diameters using density functional theory (DFT) and molecular dynamics (MD) simulation, respectively. The carbon nanotubes’ electronic properties were derived from the index number (n1 , n2 ), lattice vectors, and the rolled graphene sheet orientation. For (6,1) SWCNT, (n1 -n2 )/3 is non-integer, so the expected characteristic is semiconducting. We have considered (6,1) Chiral SWCNT with different diameters ‘d’ (4.68 Å, 4.90 Å, 5.14 Å, 5.32 Å, 5.53 Å) corresponds to respective bond lengths ‘δ ’ (1.32 Å, 1.38 Å, 1.45 Å, 1.50 Å and 1.56 Å) and then analyze the electronic properties from the Linear Combination of Atomic Orbitals (LCAO) based on DFT. We have used both the DFT-1/2 and GGA exchange energy correlation approximations for our calculation and compared the results. In both cases, the energy bandgap is decreasing order with the increase in bond lengths. The lowest value of formation energy was obtained at the bond length δ=1.45 Å (d=5.14 Å). For the mechanical properties, we have calculated Young’s modulus using molecular dynamics (MD) simulations. From our calculation, we have found that the (6,1) SWCNT with bond length 1.45 Å (d=5.14 Å) has Young’s modulus value of 1.553 TPa.
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An Abinitio Study of the Half-metallic Properties of Co2TGe (T=Sc, Ti, V,Cr, Mn, Fe): LSDA+U Method
D. P. Rai,R. K. Thapa 한국물리학회 2013 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.62 No.11
Using density functional theory (DFT) calculations, we investigated the electronic and magnetic properties of the Heusler compounds Co2TGe (T = Sc, Ti, V, Cr, Mn, Fe). Among the systems under investigation Co2CrGe and Co2MnGe have given 100% spin polarization at the Fermi energy (EF ). Co2CrGe is the most stable half-metallic ferromagnets (HMFs) with an energy gap of 0.24 eV at the Fermi level (EF ) in spin down channel. We have also found an increase in the total magnetic moments as T goes from Sc to Fe. The calculated magnetic moments for Co2CrGe and Co2MnGe are 3.999 µB and 5.00 µB respectively. Based on the local spin density approximation (LSDA)calculated results, we have predicted that the compounds Co2CrGe and Co2MnGe are HMFs. We have tried to study the HMFs in Co2ScGe, Co2TiGe, Co2VGe and Co2FeGe by using the local spin density approximation and Coulomb repulsion (U) (LSDA+U) when the simple generalized gradient approximation (GGA) or the LSDA fail.
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D. P. Rai,Y. T. Singh,B. Chettri,M. Houmad,P. K. Patra 한국탄소학회 2021 Carbon Letters Vol.31 No.3
We report the comparative study of electronic and optical properties of (6,1) SWCNT from GGA and DFT-1/2 methods. (6,1) SWCNT is a low-bandgap semiconductor, which falls within ( n1 ? n2)/3≠ integer. The calculated bandgaps are 0.371 eV and 0.462 eV from GGA and DFT-1/2, respectively. Thus, DFT-1/2 enhanced the electronic bandgap by 24.52%. From both GGA and DFT-1/2 approaches (6,1) SWCNT exhibits an indirect bandgap along Γ ? Δ symmetry. However, the percentage change in direct–indirect bandgap is negligibly small, i.e., 4.1% and 3.7% from GGA and DFT-1/2, respectively. The refractive index measured along x-axis ( n x ) approaches unity, indicating transparent behaviour, while that along z-axis ( n z ) goes as high as ∼3.82 for photon energy 0.0 ? 0.15 eV, exhibiting opaque behaviour. Again, the value of n z drops below unity at photon energy ∼0.18 eV and again approaches ∼ 1 for higher energy ranges. The optical absorption is highly anisotropic and active within the infrared region.
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Singh, Deepu,Sinha, B.,Rai, V.P.,Singh, M.N.,Singh, D.K.,Kumar, R.,Singh, A.K. The Korean Society of Plant Pathology 2016 Plant Pathology Journal Vol.32 No.2
Inheritance of resistance to Fusarium wilt (FW) disease caused by Fusarium udum was investigated in pigeonpea using four different long duration FW resistant genotypes viz., BDN-2004-1, BDN-2001-9, BWR-133 and IPA-234. Based on the $F_2$ segregation pattern, FW resistance has been reported to be governed by one dominant gene in BDN-2004-1 and BDN-2001-9, two duplicate dominant genes in BWR-133 and two dominant complimentary genes in resistance source IPA-234. Further, the efficacy of six simple sequence repeat (SSR) markers namely, ASSR-1, ASSR-23, ASSR-148, ASSR-229, ASSR-363 and ASSR-366 reported to be associated with FW resistance were also tested and concluded that markers ASSR-1, ASSR-23, ASSR-148 will be used for screening of parental genotypes in pigeonpea FW resistance breeding programs. The information on genetics of FW resistance generated from this study would be used, to introgress FW resistance into susceptible but highly adopted cultivars through marker-assisted backcross breeding and in conventional breeding programs.
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Synchronization and Operation of Parallel Inverters using Droop Control
L. K. Sahoo,N. D. Thakur,K. Rai,P Sensarma,R. D. Jha,P. Mohanty,A Sharma 전력전자학회 2011 ICPE(ISPE)논문집 Vol.2011 No.5
To obtain a continuous power supply Distributed Generation (DG) with a Decentralized Power System (DPS), i.e. replacing a single UPS unit with multiple, smaller units in parallel, is emerging as new paradigm. The technically challenging aspect of DPS is the synchronization of inverters and load sharing among the parallel connected inverters. In this paper, a control method is proposed and implemented for synchronization and parallel operation of inverters. Droop control method has been used for equal power sharing, and design of power control loop. The design issues for voltage control loop are analyzed with the discussion of relative stability of the system. A current control loop is designed and analyzed to provide synchronization between the inverters.
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Deepu Singh,B. Sinha,V. P. Rai,M. N. Singh,D. K. Singh,R. Kumar,A. K. Singh 한국식물병리학회 2016 Plant Pathology Journal Vol.32 No.2
Inheritance of resistance to Fusarium wilt (FW) diseasecaused by Fusarium udum was investigated in pigeonpeausing four different long duration FW resistantgenotypes viz., BDN-2004-1, BDN-2001-9, BWR-133and IPA-234. Based on the F2 segregation pattern, FWresistance has been reported to be governed by onedominant gene in BDN-2004-1 and BDN-2001-9, twoduplicate dominant genes in BWR-133 and two dominantcomplimentary genes in resistance source IPA-234. Further, the efficacy of six simple sequence repeat (SSR)markers namely, ASSR-1, ASSR-23, ASSR-148, ASSR-229, ASSR-363 and ASSR-366 reported to be associatedwith FW resistance were also tested and concluded thatmarkers ASSR-1, ASSR-23, ASSR-148 will be used forscreening of parental genotypes in pigeonpea FW resistancebreeding programs. The information on geneticsof FW resistance generated from this study would beused, to introgress FW resistance into susceptible buthighly adopted cultivars through marker-assisted backcrossbreeding and in conventional breeding programs.
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