• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.647-647
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• 2013

We apply a density functional theory (DFT) and DFT-based non-equilibrium Green's function approach to study the structures, energetics and charge transport characteristics of nitrogen-doped graphene and graphene nanoribbons (GNRs) with additional doping of phosphorus or boron atoms. Considering graphitic, pyridinic, and porphrin-like N doping sites and increasing N-doping concentration, we analyze the structures of N-P and N-B doped graphene and particularly focus on how they affect the charge transport along the lateral direction. For the GNRs, we also consider the differences between defects formed at the edge and bulk regions. Implications of our findings in the context of electronic and energy device applications will be also discussed.

• Journal of IKEEE
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• v.23 no.2
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• pp.502-507
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• 2019

We investigated theoretically the quantum optical transition properties of qusi 2-Dinensinal Landau splitting system, in Si. We apply the Quantum Transport theory (QTR) to the system in the confinement of electrons by square well confinement potential. We use the projected Liouville equation method with Equilibrium Average Projection Scheme (EAPS). In order to analyze the quantum transition, we compare the temperature and the magnetic field dependencies of the QTLW and the QTLS on two transition processes, namely, the phonon emission transition process and the phonon absorption transition process. Through the analysis of this work, we found the increasing properties of QTLW and QTLS of Si with the temperature and the magnetic fields. We also found the dominant scattering processes are the phonon emission transition process.

• KSII Transactions on Internet and Information Systems (TIIS)
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• v.10 no.8
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• pp.3474-3497
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• 2016

Network Function Virtualization (NFV) and Software Defined Networking (SDN) are recently considered as very promising drivers of the evolution of existing middlebox services, which play intrinsic and fundamental roles in today's networks. To address the virtual service deployment issues that caused by introducing NFV or SDN to networks, this paper proposes an optimal solution by combining quantum genetic algorithm with cooperative game theory. Specifically, we first state the concrete content of the service deployment problem and describe the system framework based on the architecture of SDN. Second, for the service location placement sub-problem, an integer linear programming model is built, which aims at minimizing the network transport delay by selecting suitable service locations, and then a heuristic solution is designed based on the improved quantum genetic algorithm. Third, for the service amount placement sub-problem, we apply the rigorous cooperative game-theoretic approach to build the mathematical model, and implement a distributed algorithm corresponding to Nash bargaining solution. Finally, experimental results show that our proposed method can calculate automatically the optimized placement locations, which reduces 30% of the average traffic delay compared to that of the random placement scheme. Meanwhile, the service amount placement approach can achieve the performance that the average metric values of satisfaction degree and fairness index reach above 90%. And evaluation results demonstrate that our proposed mechanism has a comprehensive advantage for network application.

• Carbon letters
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• v.28
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• pp.60-65
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• 2018

Linear carbon chains (LCCs) encapsulated inside the hollow cores of carbon nanotubes (CNTs) have been experimentally synthesized and structurally characterized by Raman spectroscopy and transmission electron microscopy. However, in terms of electronic conductivity, their transportation mechanism has not been investigated theoretically or experimentally. In this study, the density of states and quantum conductance spectra were simulated through density functional theory combined with the non-equilibrium Green function method. The encapsulated LCCs inside (5,5), (6,4), and (9,0) single-walled carbon nanotubes (SWCNTs) exhibited a drastic change from metallic to semiconducting or from semiconducting to metallic due to the strong charge transfer between them. On the other hand, the electronic change in the conductance value of LCCs encapsulated inside the (7,4) SWCNT were in good agreement with the superposition of the individual SWCNTs and the isolated LCCs owing to the weak charge transfer.

• Advances in nano research
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• v.14 no.1
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• pp.1-15
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• 2023

Driven by the scaling down of transistor node technology, graphene became of interest to many researchers following the success of its fabrication as graphene nanoribbons (GNRs). However, during the fabrication of GNRs, it is not uncommon to have defects within the GNR structures. Scaling down node technology also changes the modelling approach from the classical Boltzmann transport equation to the quantum transport theory because the quantum confinement effects become significant at sub-10 nanometer dimensions. The aim of this study is to examine the effect of Stone-Wales defects on the electronic properties of GNRs using a tight-binding model, based on Non-Equilibrium Green's Function (NEGF) via numeric computation methods using MATLAB. Armchair and zigzag edge defects are also implemented in the GNR structures to mimic the practical fabrication process. Electronic properties of pristine and defected GNRs of various lengths and widths were computed, including their band structure and density of states (DOS). The results show that Stone-Wales defects cause fluctuation in the band structure and increase the bandgap values for both armchair GNRs (AGNRs) and zigzag GNRs (ZGNRs) at every simulated width. In addition, Stone-Wales defects reduce the numerical computation DOS for both AGNRs and ZGNRs. However, when the lengths of the structures increase with fixed widths, the effect of the Stone-Wales defects become less significant.

• Nuclear Engineering and Technology
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• v.48 no.3
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• pp.650-659
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• 2016

As a type of accident-tolerant fuel, fully ceramic microencapsulated (FCM) fuel was proposed after the Fukushima accident in Japan. The FCM fuel consists of tristructural isotropic particles randomly dispersed in a silicon carbide (SiC) matrix. For a fuel element with such high heterogeneity, we have proposed a two-temperature homogenized model using the particle transport Monte Carlo method for the heat conduction problem. This model distinguishes between fuel-kernel and SiC matrix temperatures. Moreover, the obtained temperature profiles are more realistic than those of other models. In Part I of the paper, homogenized parameters for the FCM fuel in which tristructural isotropic particles are randomly dispersed in the fine lattice stochastic structure are obtained by (1) matching steady-state analytic solutions of the model with the results of particle transport Monte Carlo method for heat conduction problems, and (2) preserving total enthalpies in fuel kernels and SiC matrix. The homogenized parameters have two desirable properties: (1) they are insensitive to boundary conditions such as coolant bulk temperatures and thickness of cladding, and (2) they are independent of operating power density. By performing the Monte Carlo calculations with the temperature-dependent thermal properties of the constituent materials of the FCM fuel, temperature-dependent homogenized parameters are obtained.

• Journal of the Korean Magnetic Resonance Society
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• v.27 no.4
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• pp.28-34
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• 2023

We study the linear-nonlinear quantum transport theory of Wannier-Landau transition system in the confinement of electrons by a square well confinement potential. We use the projected Liouville equation method with the ensemble density projection technique. We select the dynamic value under a linearly oscillatory external field. We derive the dynamic value formula and the memory factor functions in three electron phonon coupling systems and electron impurity coupling systems of two transition types, the intra-band transitions and inter-band transitions. We obtain results that can be applied directly to numerical analyses. For simple example of application, we analyze the absorption power and line-widths of ZnO, through the numerical calculation of the theoretical result in the Landau system.