• Nuclear Engineering and Technology
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• v.45 no.7
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• pp.951-960
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• 2013

Energy group structure has a significant effect on the results of multigroup transport calculations. It is known that $UO_2-PuO_2$ (MOX) is a recently developed fuel which consumes recycled plutonium. For such fuel which contains various resonant nuclides, the selection of energy group structure is more crucial comparing to the $UO_2$ fuels. In this paper, in order to improve the accuracy of the integral results in MOX thermal lattices calculated by WIMSD-5B code, a swarm intelligence method is employed to optimize the energy group structure of WIMS library. In this process, the NJOY code system is used to generate the 69 group cross sections of WIMS code for the specified energy structure. In addition, the multiplication factor and spectral indices are compared against the results of continuous energy MCNP-4C code for evaluating the energy group structure. Calculations performed in four different types of $H_2O$ moderated $UO_2-PuO_2$ (MOX) lattices show that the optimized energy structure obtains more accurate results in comparison with the WIMS original structure.

• Nuclear Engineering and Technology
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• v.56 no.6
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• pp.2019-2028
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• 2024

Advanced nuclear reactors, especially the newly developed small and micro-reactors have complex neutron spectrum, which makes the deterministic reactor core calculations sensitive to the energy group structure of few-group cross-sections. To avoid significantly increasing the cost of energy discretization in the core calculation, two energy group structures with 31 groups and 33 groups were adopted for typical thermal and fast reactor cores, respectively. Then, an adaptive scheme of group division for reactor cores with a medium neutron spectrum was proposed. The works were based on the full spectrum nuclear reactor analysis code SARAX/TULIP. An equivalent one-dimensional model of the core was proposed to capture the key neutron spectrum features of the reactor core. Such features were used to adaptively determine a few-group structure for the following reactor core calculations. Then, the neutron spectrum in different zones with more details was calculated. With this spectrum, the cross-sections were condensed into the determined energy groups. Three tests based on different neutron spectrum were calculated to verify the schemes. The results show that using the adaptive energy group division scheme, the following core calculation can meet the accuracy requirement of different reactors with different neutron spectra.

• Journal of the Korean Ceramic Society
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• v.35 no.11
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• pp.1182-1189
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• 1998

Crystal structure and structural stability of needle-shaped maghemite(${\gamma}$-{{{{ { {Fe }_{2 }O }_{3 } }}) have been studied by the computation and estimation of lattice energies interionic distances and site potentials. The refined struc-tures analyzed with cubic system(space group P4332) and tetragonal system(space group P4332) were used for these computations. The lattice energy of tetragonal system is -143.10eV/molecule. The maghemite structure with tetragonal system is more stable than that with cubic system. The ordering energy of the FE and cation vacancy within the octahedral site the 4b site of the structure with cubic system(space group P4332) is -0.95eV/molecule but this Fe has larger interionic distance and is very unstable.

• Current Research on Agriculture and Life Sciences
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• v.32 no.4
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• pp.215-223
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• 2014

This study examines the contribution level of greenhouse gas(GHG) emission reduction and installation costs of renewable energy facilities. The GHG emission forecasts and industrial structures in the 16 regions of Korea are then analyzed to identify the proper supply of renewable energy sources for each region. The results show that water power is the most effective and efficient renewable energy source to reduce GHG emissions, followed by sunlight, wind power, geothermal heat, and solar heat, respectively. The 16 regions are then categorized into 4 groups based on their GHG emission forecast and industrial structure: high emission and manufacturing group, low emission and manufacturing group, low emission and service group, and high emission and service group. The proper supply of renewable energy sources for each group is then determined based on the contribution level and cost efficiency of GHG emission reduction.

• Journal of Radiation Protection and Research
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• v.47 no.2
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• pp.99-106
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• 2022

Background: The radionuclide inventory calculation codes such as ORIGEN and FISPACT collapse neutron reaction libraries with energy spectra and generate an effective one-group cross-section. Since the nuclear cross-section data, energy group (g) structure, and other input details used by the two codes are different, there may be differences in each code's activation inventory calculation results. In this study, the calculation results of neutron-induced activation inventory using ORIGEN and FISPACT were compared and analyzed regarding radioactive waste classification and worker exposure during nuclear decommissioning. Materials and Methods: Two neutron spectra were used to obtain the comparison results: Watt fission spectrum and thermalized energy spectrum. The effective one-group cross-sections were generated for each type of energy group structure provided in ORIGEN and FISPACT. Then, the effective one-group cross-sections were analyzed by focusing on ⁵⁹Ni, ⁶³Ni, ⁹⁴Nb, ⁶⁰Co, ¹⁵²Eu, and ¹⁵⁴Eu, which are the main radionuclides of stainless steel, carbon steel, zircalloy, and concrete for decommissioning nuclear power plant (NPP). Results and Discussion: As a result of the analysis, ¹⁵⁴Eu and ⁵⁹Ni may be overestimated or underestimated depending on the code selection by up to 30%, because the cross-section library used for each code is different. When ORIGEN-44g, -49g, and -238g structures are selected, the differences of the calculation results of effective one-group cross-section according to group structure selection were less than 1% for the six nuclides applied in this study, and when FISPACT-69g, -172g, and -315g were applied, the difference was less than 1%, too. Conclusion: ORIGEN and FISPACT codes can be applied to activation calculations with their own built-in energy group structures for decommissioning NPP. Since the differences in calculation results may occur depending on the selection of codes and energy group structures, it is appropriate to properly select the energy group structure according to the accuracy required in the calculation and the characteristics of the problem.

• Proceedings of the Korean Nuclear Society Conference
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• 2004.10a
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• pp.1325-1326
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• 2004

• Journal of the Society of Naval Architects of Korea
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• v.60 no.1
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• pp.20-30
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• 2023

In this paper, the Energy Flow Finite Element Analysis (EFFEA) was performed to predict the acoustic and vibrational responses of complicated plate structures considering improved Fluid-Structure Interaction (FSI). For this, a new power transfer relationship was derived at the area junction where two different fluids are in contact on both sides of the plate. In order to increase the reliability of EFFEA of complicated plate structures immersed in a high-density fluid, the corrected flexural wavenumber and group velocity considering fluid-loading effect were derived. As the specific acoustic impedance of the fluid in contact with the plate increases, the flexural wavenumber of the plate increases. As a result, the flexural group velocity is reduced, and the spatial damping effect of the flexural energy density is increased. Additionally, for the EFFEA of arbitary-shaped built-up structures, the energy flow finite element formulation for the acoustic tetrahedral element was newly performed. Finally, for validation of the derived theory and developed software, numerical applications of complicated plate structures submerged in seawater or air were successfully performed.

• Journal of Radiation Industry
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• v.12 no.4
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• pp.343-348
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• 2018

Preliminary study was perfomed to develop a biocompatible filter material using radiation energy. Electrosppined PLLA nano sheets were surface-modificated with hydrophilic groups(acrylic group) by using radiation. The physico-chemical and morphological characteristics of modified PLLA sheets were measured by ATR, SEM, contact angle, and hydrophilic (acryl group) introduction rate (TBO). As a result, there was no morphological(fiber structure) structure change due to radiation, and it was confirmed that an acrylic group was successfully introduced onto PLLA fiber sheet by radiation.

• Bulletin of the Korean Chemical Society
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• v.11 no.2
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• pp.144-149
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• 1990

Conformational free energy calculations using an empirical potential function (ECEPP/2) and the hydration shell model were carried out on the sulfonylurea herbicides of bensulfuron methyl (Londax) and metsulfuron methyl (Ally). The conformational energy was minimized from starting conformations which included possible combinations of torsion angles in the molecule. The conformational entropy of each conformation was computed using a harmonic approximation. To understand the hydration effect on the conformation of the molecule in aqueous solution, the hydration free energy of each group was calculated and compared each other. It was found that the low-free-energy conformations of two molecules in aqueous solution prefer the overall folded structure, in which an interaction between the carbonyl group of ester in aryl ring and the first amido group of urea bridge plays an important role. From the analysis of total free energy, the hydration and conformational entropy are known to be essential in stabilizing low-free-energy conformations of Londax, whereas the conformational energy is proved to be a major contribution to the total free energy of low-free-energy conformations of Ally.

• BMB Reports
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• v.31 no.5
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• pp.459-467
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• 1998

A new set of functional group interaction energy descriptors relevant to the ACE (Angiotensin-Converting Enzyme) inhibitory peptide, QSAR (Quantitative Structure Activity Relationships), is presented. The functional group interaction energies approximate the charged interactions and distances between functional groups in molecules. The effective energies of the computationally derived geometries are useful parameters for deriving 3D-QSAR models, especially in the absence of experimentally known active site conformation. ACE is a regulatory zinc protease in the renin-angiotensin system. Therapeutic inhibition of this enzyme has proven to be a very effective treatment for the management of hypertension. The non bond interaction energy values among functional groups of six-feature of ACE inhibitory peptides were used as descriptor terms and analyzed for multivariate correlation with ACE inhibition activity. The functional group interaction energy descriptors used in the regression analysis were obtained by a series of inhibitor structures derived from molecular mechanics and semi-empirical calculations. The descriptors calculated using electrostatic and steric fields from the precisely defined functional group were sufficient to explain the biological activity of inhibitor. Application of the descriptors to the inhibition of ACE indicates that the derived QSAR has good predicting ability and provides insight into the mechanism of enzyme inhibition. The method, functional group interaction energy analysis, is expected to be applicable to predict enzyme inhibitory activity of the rationally designed inhibitors.