• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.425.1-425.1
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• 2014

Thermal transport in nanomaterials is not only scientifically interesting but also technological important for various future electronic, bio, and energy device applications. Among the various computation approaches to investigate lattice thermal transport phenomena in nanoscale, the atomistic nonequilibrium Green's function approach based on first-principles density functional theory calculations appeared as a promising method given the continued miniaturization of devices and the difficulty of developing classical force constants for novel nanoscale interfaces. Among the nanometerials, carbon atomic chains, namely the cumulene (all-doulble bonds, ${\cdots}C=C=C=C{\cdots}$) and polyyne (alternation of single and triple bonds, ${\cdots}C{\equiv}C-C{\equiv}C{\cdots}$) can be considered as the extream cases of interconnction materials for nanodevices. After the discovery and realization of carbon atomic chains, their electronic transport properties have been widely studied. For the thermal transport properties, however, there have been few literatures for this simple linear chain system. In this work, we first report on the development of a non-equilibrium Green's function theory-based computational tool for atomistic thermal transport calculations of nanojunctions. Using the developed tool, we investigated phonon dispersion and transmission properties of polyethylene (${\cdots}CH2-CH2-CH2-CH2{\cdots}$) and polyene (${\cdots}CH-CH-CH-CH{\cdots}$) structures as well as the cumulene and polyyne. The resulting phonon dispersion from polyethylene and polyene showed agreement with previous results. Compared to the cumulene, the gap was found near the ${\Gamma}$ point of the phonon dispersion of polyyne as the prediction of Peierls distortion, and this feature was reflected in the phonon transmission of polyyne. We also investigated the range of interatomic force interactions with increase in the size of the simulation system to check the convergence criteria. Compared to polyethylene and polyene, polyyne and cumulene showed spatially long-ranged force interactions. This is reflected on the differences in phonon transport caused by the delicate differences in electronic structure.

• The Journal of The Korea Institute of Intelligent Transport Systems
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• v.8 no.5
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• pp.151-159
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• 2009

Network models for pedestrian flows have been studied in various ways. However, because of the simplicity and application, a number of researchers prefer the CA Model to analyze pedestrian's complicated behavior. These kinds of models based on Agent are being used as a microscopic analyzing method since it can easily adapt individuals' various characters and movement types. However, because pedestrians' movement can be (easily) effected by where they are and where they head, some models using the same rules have limit when considering pedestrians' every different movement. In this research, homogeneous section is defined as a similar movement type of individuals. With MDPM, we suggest simulation method explaining one-way walk and side-walk which could not be done in past.

• The Journal of Korean Institute of Electromagnetic Engineering and Science
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• v.12 no.7
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• pp.1182-1190
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• 2001

In this paper, microstrip photonic bandgap (PBG) structure with special perforation patterns etched on the line itself is analyzed and optimized in shape, then used for harmonic tuning of power amplifier. This PBG has an advantage in being fabricated and grounded. The dimension of unit lattice is enlarged vertically, but its input and output line maintain 50 Ω using tapered line. This modification from original structure can lessen possible error in etching PCB. The analysis and design of PBG structure are acquired from using EM simulation. The measured insertion loss of the final structure is 0.3 ∼0.4 dB, and its bandwidth of stopband is 6∼7 GHz. Measured results of improved characteristics by using PBG structure at the output of the power amplifier are 0.72∼0.99 dB in output power, 1.14∼7.8 % in PAE, and 1 dBc in the third IMD.

• The KIPS Transactions:PartB
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• v.12B no.4 s.100
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• pp.379-386
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• 2005

This paper provides a rigorous theory for analysis of quantization effects and optimum filter bank design in quantized multidimensional subband filter banks. Even though subband filter design has been a hot topic for last decades, a few results have been reported on the subband filter with a quantizer. Each pdf-optimized quantizer is modeled by a nonlinear gain-plus-additive uncorrelated noise and embedded into the subband structure. Using polyphase decomposition of the analysis/synthesis filter banks, we derive the exact expression for the output mean square quantization error. Based on the minimization of the output mean square error, the technique for optimal filter design methodology is developed. Numerical design examples for optimum nonseparable paraunitary and biorthogonal filter banks are presented with a quincunx subsampling lattice. Through the simulation, $10\~20\;\%$ decreases in MSE have been observed compared with subband filter with no quantizers especially for low bit rate cases.

• Wind and Structures
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• v.19 no.4
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• pp.421-441
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• 2014

With the assistance of typhoon field data at aerial elevation level observed by meteorological satellites and wind velocity and direction records nearby the ground gathered in Guangzhou Weather Station between 1985 and 2001, some key wind field parameters under typhoon climate in Guangzhou region were calibrated based on Monte-Carlo stochastic algorithm and Meng's typhoon numerical model. By using Peak Over Threshold method (POT) and Generalized Pareto Distribution (GPD), Wind field characteristics during typhoons for various return periods in several typical engineering fields were predicted, showing that some distribution rules in relation to gradient height of atmosphere boundary layer, power-law component of wind profile, gust factor and extreme wind velocity at 1-3s time interval are obviously different from corresponding items in Chinese wind load Codes. In order to evaluate the influence of typhoon field parameters on long-span flexible bridges, 1:100 reduced-scale wind field of type B terrain was reillustrated under typhoon and normal conditions utilizing passive turbulence generators in TJ-3 wind tunnel, and wind-induced performance tests of aero-elastic model of long-span Guangzhou Xinguang arch bridge were carried out as well. Furthermore, aerodynamic admittance function about lattice cross section in mid-span arch lib under the condition of higher turbulence intensity of typhoon field was identified via using high-frequency force-measured balance. Based on identified aerodynamic admittance expressions, Wind-induced stochastic vibration of Xinguang arch bridge under typhoon and normal climates was calculated and compared, considering structural geometrical non-linearity, stochastic wind attack angle effects, etc. Thus, the aerodynamic response characteristics under typhoon and normal conditions can be illustrated and checked, which are of satisfactory response results for different oncoming wind velocities with resemblance to those wind tunnel testing data under the two types of climate modes.

• Nuclear Engineering and Technology
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• v.53 no.7
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• pp.2104-2125
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• 2021

This paper presents the verification and validation (V&V) of a calculation module for isotope inventory prediction to control the back-end cycle of spent nuclear fuel (SNF). The calculation method presented herein was implemented in a two-step code system of a lattice code STREAM and a nodal diffusion code RAST-K. STREAM generates a cross section and provides the number density information using branch/history depletion branch calculations, whereas RAST-K supplies the power history and three history indices (boron concentration, moderator temperature, and fuel temperature). As its primary feature, this method can directly consider three-dimensional core simulation conditions using history indices of the operating conditions. Therefore, this method reduces the computation time by avoiding a recalculation of the fuel depletion. The module for isotope inventory calculates the number densities using the Lagrange interpolation method and power history correction factors, which are applied to correct the effects of the decay and fission products generated at different power levels. To assess the reliability of the developed code system for back-end cycle analysis, validation study was performed with 58 measured samples of pressurized water reactor (PWR) SNF, and code-to-code comparison was conducted with STREAM-SNF, HELIOS-1.6 and SCALE 5.1. The V&V results presented that the developed code system can provide reasonable results with comparable confidence intervals. As a result, this paper successfully demonstrates that the isotope inventory prediction code system can be used for spent nuclear fuel analysis.

• 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.

• Nuclear Engineering and Technology
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• v.55 no.11
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• pp.4019-4025
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• 2023

Recently, a new monkey computational phantom, called Visible Monkey, was developed for non-ionizing radiation studies in animal research. In this study, we extended its applications to ionizing radiation studies by implementing the voxel model of the Visible Monkey into three general-purpose Monte Carlo (MC) codes: MCNP6, PHITS, and Geant4. The implementation work for MCNP and PHITS was conducted using the LATTICE, UNIVERSE, and FILL cards. The G4VNestedParameterisation class was used for Geant4. Then, organ dose coefficients (DCs) for idealized photon beams in the antero-posterior direction were calculated using the three codes and compared, showing excellent agreement (differences <3%). Additionally, organ DCs in other directions (postero-anterior, left-lateral, and right-lateral) were calculated and compared with those of the newborn and 1-year-old reference phantoms. Significant differences were observed (e.g., the stomach DC of the monkey was 5-fold greater than that of the 1-year-old phantom at 0.03 MeV) while the differences tended to decrease with increasing energy (mostly <20% at 10 MeV). The results of this study allows conducting MC simulations using the Visible Monkey to estimate organ-level doses, which should be valuable to support/improve monkey experiments involving ionizing radiation exposures.

• Korean Journal of Mineralogy and Petrology
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• v.33 no.1
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• pp.19-28
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• 2020

Ranciéte is a hexagonal phyllomanganate mineral containing random Mn(IV) vacancies with hydrated Ca²⁺ cations charged balanced as interlayer cations. Its Mn²⁺ analogue is called takanelite, and ranciéite and takanelite are regarded as end-members of a solid solution series of (Ca²⁺,Mn²⁺)Mn₄O₉·nH₂O. Because the minerals are found as very small particles associated with other minerals, the crystal structures of the solid solution series have yet to be defined. In this research, we conducted classical molecular dynamics (MD) simulations of ranciéite and takanelite by varying the Mn²⁺/Ca²⁺ interlayer cation ratio to find relations between the interlayer cations and mineral structures. MD simulation results of chalcophanite group minerals are compared with experimental results to verify our method applied. Then, lattice parameters of ranciéite and takanelite models are presented along with detailed interlayer structures as to the distribution and coordination of cations and water molecules. This study shows the potentials of MD simulations in entangling complicated phyllomanganates structures.

• Journal of Radiation Protection and Research
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• v.28 no.4
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• pp.263-270
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• 2003

Monte Carlo simulation has been peformed to induce optimized parameters of the detector head of gamma camera for the diagnosis of breast cancer and to evaluate it under the diagnosis condition of the breast cancer. For the simulation, we used Tungsten collimator, having a lattice structured array with holes of $3mm{\times}3mm$ and septal thickness of 0.25 mm, which are corresponding to the pixellated photosensor. For driving optimum parameters we used Trade-Offs procedure between the geometric efficiency and the spatial resolution, varying the detector head components. In order to pre-evaluate the performance of the optimized detector head, we assumed diagnosis condition that the breast tumor is located in the middle of phantom with various sizes and its location is 25 mm from the collimator surface, considering background count caused by radiation sources from other organs. It was shown that the performance of the optimized detector head can be degraded according to the breast cancer size and the background count under real diagnosis conditions of breast cancer. Therefore, it is concluded that the spatial resolution, which is used as an indicator to distinguish the various sizes of breast cancer and is dependent on the characteristic of the detector head, appears to be meaningless in early diagnosis of the breast cancer.