• Journal of the Society of Naval Architects of Korea
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• v.30 no.2
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• pp.112-122
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• 1993

A potential-based panel method is presented for the analysis of a partially or supercavitating two-dimensional hydrofoil at a finite submergence beneath a free surface, treating without approximation the effects of the finite Froude number and the hydrostatic pressure. Free surface sources and normal dipoles are distributed on the foil and cavity surfaces, their strength being determined by satisfying the kinematic and dynamic boundary conditions on the foil-cavity boundary. The cavity surface is determined iteratively as a part of the solution. Numerical results show that the wave profile is altered significantly due to the presence of the cavity. The buoyancy effect due to the hydrostatic pressure, which has usually been neglected in most of the cavitating flow analysis, is found playing an important role, especially for the supercavitating hydrofoil; the gravity field increases the cavity size in shallow submergence, but decreases it when deeply submerged, while the lift reduces at all submergence depth.

• Steel and Composite Structures
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• v.27 no.2
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• pp.201-216
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• 2018

In this paper, three-dimensional (3D) elasticity theory in conjunction with nonlocal strain gradient theory (NSGT) is developed for mechanical analysis of anisotropic nanoparticles. The present model incorporates two scale coefficients to examine the mechanical characteristics much accurately. All the elastic constants are considered and assumed to be the functions of (r, ${\theta}$, ${\varphi}$), so all kind of anisotropic structures can be modeled. Moreover, all types of functionally graded spherical structures can be investigated. To justify our model, our results for the radial vibration of spherical nanoparticles are compared with experimental results available in the literature and great agreement is achieved. Next, several examples of the radial vibration and wave propagation in spherical nanoparticles including nonlocal strain gradient parameters are presented for more than 10 different anisotropic nanoparticles. From the best knowledge of authors, it is the first time that 3D elasticity theory and NSGT are used together with no approximation to derive the governing equations in the spherical coordinate. Moreover, up to now, the NSGT has not been used for spherical anisotropic nanoparticles. It is also the first time that all the 36 elastic constants as functions of (r, ${\theta}$, ${\varphi}$) are considered for anisotropic and functionally graded nanostructures including size effects. According to the lack of any common approximations in the displacement field or in elastic constant, present theory can be assumed as a benchmark for future works.

• Journal of Magnetics
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• v.12 no.3
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• pp.97-102
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• 2007

We have investigated the electronic structures and magnetism of a full Heusler alloy $Co_2CrGa(001)$ surface by using the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). We considered two types of different terminations: the Co-terminated (Co-Term) and the CrGa-terminated (CrGa-Term) surfaces. From the calculated layer-projected density of states (LDOS), we found that the surface of the CrGa-Term shows nearly half-metallic character while that of the Co-Term is far from the half-metallic. For the Co-Term, the surface Co atom moves down to the bulk region by $0.05{\AA}A$, while the subsurface Cr and Ga atoms move up to the surface layer by 0.05 and $0.01{\AA}$, respectively. For the CrGa-Term, there is a large inward relaxation of the surface Ga atom $(0.07{\AA})$, but the relaxation of the surface Cr atom is very small $(0.01{\AA})$. The relaxations affect not much to the overall shapes of DOS for both terminations, but make the surface states of the surface Cr and Ga atoms for the CrGa-Term shift to higher energy that enhances the nearly half-metallic character of the CrGa-Term. The magnetic moments of the surface $Cr(2.98{\mu}_B)$ in the CrGa-Term and the surface $Co(1.17{\mu}_B)$ in the Co-Term were much increased compared to those of the inner-layers $(1.79\;and\;0.77{\mu}_B)$, respectively, while that of the subsurface Cr atom in the Co-Term was decreased to $1.19{\mu}_B$.

• Korean Journal of Optics and Photonics
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• v.18 no.2
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• pp.93-99
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• 2007

We investigated analytically and numerically the occurrence of modulation instability in fibers with periodic changes both in dispersion and gain. Previously, it has been known that the modulation instability is suppressed in dispersion managed solitons where dispersion is managed in such a way that the local dispersion alternates between the normal and the anomalous regimes. In this work, we enhanced the advantage of the dispersion management scheme by additionally introducing proper gain/loss profiles in fibers. The gain/loss profile is given by $\Gamma(z)=0.5/D(z)*(dD/dz)$, where D(z) represents the dispersion profile. The fundamental gain spectra of the modulation instability in the dispersion and gain managed fibers have been derived analytically and confirmed by numerical calculation. Our investigation reveals that in the dispersion and gain fibers the modulation instabilities are always much more suppressed compared to the case with only dispersion managed. In practical dispersion management schemes, dispersion profiles show discontinuity. and thus. the corresponding gain/loss profiles tend to be finite. In these cases, the gain/loss profiles were approximated by lumped gains/losses of finite values. Our numerical calculations confirm that this approximation also works well.

• Journal of the Korean Institute of Telematics and Electronics
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• v.26 no.4
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• pp.16-26
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• 1989

Diffraction patterns of electromagnetic fields for the incidence of E-polarized plane wave on both interfaces of an arbitrary-angle dielect wedge are obtained by sum of geometric optics term and the edge diffracted fields. The diffraction coefficients of the edge diffracted fields are evaluated by employing the physical optics approximation and then correcting its error with the multipole line source at the dielectric edge. For the wedge angle $120^{circ}$, the incident angle $60^{circ}$, the relative dielectric constant of the dielectric wedge, 2, 5, and 10, and the observation distance from the tip of the wedge, 5 and 10 wavelength, the diffraction coefficients and the diffraction patterns corresponding to geometric optics, physical optics, and the solution corrected by the multipole line source are plotted, respectively. While the corrected solutions presented in this paper are valid only in the far-field region, these asymptotic solutions show to satisfy the boundary condition on the dielectric interfaces.

• Nuclear Engineering and Technology
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• v.48 no.2
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• pp.482-494
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• 2016

The Feshbache-Kermane-Koonin (FKK) multi-step direct (MSD) theory of pre-equilibrium reactions has been used to compute the single-step cross-sections for some (p,${\alpha}$) reactions using the knock-on and pick-up reaction mechanisms at two incident proton energies. For the knock-on mechanism, the reaction was assumed to have taken place by the direct ejection of a preformed alpha cluster in a shell-model state of the target. But the reaction was assumed to have taken place by the pick-up of a preformed triton cluster (also bound in a shell-model state of the target core) by the incident proton for the pick-up mechanism. The Yukawa forms of potential were used for the proton-alpha (for the knock-on process) and proton-triton (for the pick-up process) interaction and several parameter sets for the proton and alpha-particle optical potentials. The calculated cross-sections for both mechanisms gave satisfactory fits to the experimental data. Furthermore, it has been shown that some combinations of the calculated distorted wave Born approximation cross-sections for the two reaction mechanisms in the FKK MSD theory are able to give better fits to the experimental data, especially in terms of range of agreement. In addition, the theory has been observed to be valid over a wider range of energy.

• Nuclear Engineering and Technology
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• v.51 no.5
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• pp.1373-1380
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• 2019

Besides promising implications as fertile nuclear materials, thorium carbonitrides are of great interest owing to their peculiar physical and chemical properties, such as high density, high melting point, good thermal conductivity. This paper reports first-principles simulation results on the structural, electronic and magnetic properties of cubic thorium carbonitrides $ThC_xN_{(1-x)}$ (X = 0.03125, 0.0625, 0.09375, 0.125, 0.15625) employing formalism of density-functional-theory. For the simulation of physical properties, we incorporated full-potential linearized augmented plane-wave (FPLAPW) method while the exchange-correlation potential terms in Kohn-Sham Equation (KSE) are treated within Generalized-Gradient-Approximation (GGA) in conjunction with Perdew-Bruke-Ernzerhof (PBE) correction. The structural parameters were calculated by fitting total energy into the Murnaghan's equation of state. The lattice constants, bulk moduli, total energy, electronic band structure and spin magnetic moments of the compounds show dependence on the C/N concentration ratio. The electronic and magnetic properties have revealed non-magnetic but metallic character of the compounds. The main contribution to density of states at the Fermi level stems from the comparable spectral intensity of Th (6d+5f) and (C+N) 2p states. In comparison with spin magnetic moments of ThSb and ThBi calculated earlier with LDA+U approach, we observed an enhancement in the spin magnetic moments after carbon-doping into ThN monopnictide.

• Advances in nano research
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• v.7 no.3
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• pp.209-221
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• 2019

Graphene, with impressive electronic properties, have high potential in the microelectronic field. However, graphene itself is a zero bandgap material which is not suitable for digital logic gates and its application. Thus, much focus is on graphene nanoribbons (GNRs) that are narrow strips of graphene. During GNRs fabrication process, the occurrence of defects that ultimately change electronic properties of graphene is difficult to avoid. The modelling of GNRs with defects is crucial to study the non-idealities effects. In this work, nearest-neighbor tight-binding (TB) model for GNRs is presented with three main simplifying assumptions. They are utilization of basis function, Hamiltonian operator discretization and plane wave approximation. Two major edges of GNRs, armchair-edged GNRs (AGNRs) and zigzag-edged GNRs (ZGNRs) are explored. With single vacancy (SV) defects, the components within the Hamiltonian operator are transformed due to the disappearance of tight-binding energies around the missing carbon atoms in GNRs. The size of the lattices namely width and length are varied and studied. Non-equilibrium Green's function (NEGF) formalism is employed to obtain the electronics structure namely band structure and density of states (DOS) and all simulation is implemented in MATLAB. The band structure and DOS plot are then compared between pristine and defected GNRs under varying length and width of GNRs. It is revealed that there are clear distinctions between band structure, numerical DOS and Green's function DOS of pristine and defective GNRs.

• Current Applied Physics
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• v.18 no.12
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• pp.1465-1472
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• 2018

The magnetic and optical properties of Ce-doped ZnO systems have been widely demonstrated, but the effects of different strains of Ce-doped ZnO systems remain unclear. To solve these problems, this study identified the effects of biaxial strain on the electronic structure, absorption spectrum, and magnetic properties of Ce-doped ZnO systems by using a generalized gradient approximation + U (GGA + U) method with plane wave pseudopotential. Under unstrained conditions, the formation energy decreased, the system became stable, and the doping process became easy with the increase in the distances between two Ce atoms. The band gap of the systems with different strains became narrower than that of undoped ZnO without strain, and the absorption spectra showed a red shift. The band gap narrowed, and the red shift became weak with the increase of compressive strain. By contrast, the band gap widened, and the red shift became significant with the increase of tensile strain. The red shift was significant when the tensile strain was 3%. The systems with -1%, 0%, and 1% strains were ferromagnetic. For the first time, the magnetic moment of the system with -1% strain was found to be the largest, and the system showed the greatest beneficial value for diluted magnetic semiconductors. The systems with -3%, -2%, 2%, and 3% strains were non-magnetic, and they had no value for diluted magnetic semiconductors. The ferromagnetism of the system with -1% strain was mainly caused by the hybrid coupling of Ce-4f, Ce-5d, and O-2p orbits. This finding was consistent with Zener's Ruderman-Kittel-Kasuya-Yosida theory. The results can serve as a reference for the design and preparation of new diluted magnetic semiconductors and optical functional materials.

• Advances in nano research
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• v.12 no.2
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• pp.213-221
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• 2022

Silicon carbide (SiC) is a binary carbon-silicon compound. In its two-dimensional form, monolayer SiC is composed of a monolayer carbon and silicon atoms constructed as a honeycomb lattice. SiC has recently been receiving increasing attention from researchers owing to its intriguing electronic properties. In this present work, SiC nanoribbons (SiCNRs) are modelled and simulated to obtain accurate electronic properties, which can further guide fabrication processes, through bandgap engineering. The primary objective of this work is to obtain the electronic properties of monolayer SiCNRs by applying numerical computation methods using nearest-neighbour tight-binding models. Hamiltonian operator discretization and approximation of plane wave are assumed for the models and simulation by applying the basis function. The computed electronic properties include the band structures and density of states of monolayer SiCNRs of varying width. Furthermore, the properties are compared with those of graphene nanoribbons. The bandgap of ASiCNR as a function of width are also benchmarked with published DFT-GW and DFT-GGA data. Our nearest neighbour tight-binding (NNTB) model predicted data closer to the calculations based on the standard DFT-GGA and underestimated the bandgap values projected from DFT-GW, which takes in account the exchange-correlation energy of many-body effects.