• Journal of the Korean Vacuum Society
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• v.12 no.S1
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• pp.60-62
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• 2003

In this study we report the results of ab initio first-principles calculations to investigate the possibility of metamagnetic behavior in Fe$_3$Al alloy. We used the WIEN2k package of full-potential linearized-augmented- plane-wave method within the local-spin-density approximation to the density-functional theory. The exchange-correlation functional is the generalized-gradient approximation of Perdew-Burke-Ernzerhof. The theoretical lattice constant, which is about 0.5% smaller than the experimental one, is obtained by minimizing the total energy. If the volume decreases about 9 % from the equilibrium, the total magnetic moment decreases abruptly from 4.6 $\mu_{B}$/f.u. to 4.0 $\mu_{B}$/f.u. Since this change is considerably large (∼14%), it is possible to measure by a simple high-pressure experiment at about 180 kbar.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.28-28
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• 2010

Photoelectrochemical solar cells such as dye-sensitized cells (DSSCs), which exhibit high performance and are cost-effective, provide an alternative to conventional p-n junction photovoltaic devices. However, the efficiency of such cells plateaus at 11-12%, in contrast to their theoretical value of 33%. Improvements in efficiency can only occur through a fundamental understanding of the underlying physics, materials, and device designs of DSSCs. A photoelectrode consisting of semiconducting oxide nanoparticles and a transparent conducting oxide electrode (TCO) is a key component of DSSC and design of photoelectrode materials is one of promising strategies to improving energy conversion efficiency. We introduce monodisperesed $TiO_2$ nanoparticles prepared by forced hydrolysis method and their superiority as photoelectrode materials was characterized with aids of optical and electrochemical analysis. Multi-layered TCO materials are also introduced and their feasibility for use as photoelectrodes is discussed in terms of optical absorption and charge collecting properties.

• Proceedings of the Korean Information Science Society Conference
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• 2002.10c
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• pp.349-351
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• 2002

고에너지물리연구에서 필요로 하는 컴퓨팅 파워와 대용량의 저장공간을 확보하는데는 많은 어려움이 있으며, 실제 실험에 참여, 연구, 분석하는 인력 또한 전세계에 산재되어 있다. 이 같은 어려움을 해결하기 위해 실험에서 필요로 하는 데이터 및 컴퓨팅 리소스를 각 지역별로 산재하여 실험의 효율성, 데이터 백업 및 컴퓨팅 리소스, 데이터 저장공간의 능률적 확보 및 활용을 위해 새로운 컴퓨팅 개념인 그리드를 활용하려는 시도를 하고 있다. 이 글에서는 현재 잘 알려진 그리드 미들웨어인 글로버스 2.0을 기반으로 하여 CERN에서 개발한 EU-DataGrid 소프트웨어를 이용한 그리드 시스템의 설계를 살펴본다.

• Journal of the Korean Chemical Society
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• v.67 no.4
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• pp.226-235
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• 2023

Chikungunya fever has a high morbidity rate in humans and is caused by chikungunya virus. There are no treatments available until now for this particular viral disease. The present study was carried out by selecting 19 flavonoids, which are available naturally in fruits, vegetables, tea, red wine and medicinal plants. The molecular docking of selected 19 flavonoids was carried out against the Chikungunya virus capsid protein using the Autodock4.2 software. Binding affinity analysis based on the Intermolecular interactions such as Hydrogen bonding and hydrophobic interactions and drug-likeness properties for all the 19 flavonoids have been carried out and it is found that the top four molecules are Chrysin, Fisetin, Naringenin and Biochanin A as they fit to the chikungunya protein and have binding energy of -8.09, -8.01, -7.6, and 7.3 kcal/mol respectively. This result opens up the possibility of applying these compounds in the inhibition of chikungunya viral protein.

• Nuclear Engineering and Technology
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• v.56 no.1
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• pp.100-105
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• 2024

In this study, we propose an alternative approach using Artificial Neural Networks (ANN) for determining Mass Attenuation Coefficients (MAC) in various glass systems. This method takes into account the weights of glass compositions, density, and photon energy as input features. The ANN model was trained and tested on a dataset consisting of 650 data points and subsequently validated through a K-fold cross-validation procedure. Our findings demonstrate a high level of accuracy, with R² values ranging from 0.90 to 0.99. Additionally, the model exhibits robust extrapolation capabilities with an R² score of 0.87 for predicting MAC values in a new glass system. Furthermore, this approach significantly reduces the need for costly and time-consuming computations and experiments, making it a potential tool for selecting materials for effective radiation protection.

• Nuclear Engineering and Technology
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• v.55 no.12
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• pp.4472-4476
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• 2023

In this study, it has been shown that the true coincidence summing correction factor can be obtained for the first time using the PHITS Monte Carlo program. Determining this correction factor using different methods and tools in each laboratory to increase the possibility of achieving high-efficiency measurement conditions is still popular in gamma-ray spectrometry. By using ¹³³Ba, ¹⁵²Eu, ¹³⁴Cs, and ⁶⁰Co point sources, the true coincidence summing factor was investigated in both near and far counting geometries for 15 different energy values. GESPECOR software was used to validate the results obtained with PHITS. A remarkable agreement was obtained between PHITS and GESPECOR, with a discrepancy of less than 3%. With this study, a new tool has been proposed to obtain the true coincidence summing factor, which is one of the significant correction factors investigated/calculated in gamma-ray spectrometric studies.

• Journal of Electrochemical Science and Technology
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• v.12 no.1
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• pp.112-125
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• 2021

The new emerging "High entropy materials" attract the attention of the scientific society because of their simpler structure and spectacular applications in many fields. A novel nanocrystalline high entropy (Be,Mg,Ca,Sr,Zn,Ni)3O4 oxide has been successfully synthesized through mechanochemical treatment followed by sintering and air quenching. The present research work focuses on the possibility of single-phase formation in the aforementioned high entropy oxide despite the great difference in the atomic sizes of reactant alkaline earth and 3d transition metal oxides. Structural properties of (Be,Mg,Ca,Sr,Zn,Ni)3O4 high entropy oxide were explored by confirmation of its single-phase Fd-3m spinel structure by x-ray diffraction (XRD). Further, nanocrystalline nature and morphology were analyzed by scanning electron microscopy (SEM). Among thermal properties, thermogravimetric analysis (TGA) revealed that the (Be,Mg,Ca,Sr,Zn,Ni)3O4 high entropy oxide is thermally stable up to a temperature of 1200℃. Whereas phase evolution in (Be,Mg,Ca,Sr,Zn,Ni)3O4 high entropy oxide before and after sintering was analyzed through differential scanning calorimetry (DSC). Electrochemical studies of (Be,Mg,Ca,Sr,Zn,Ni)3O4 high entropy oxide consists of a comparison of thermodynamic and kinetic parameters of water and hydrazine hydrate oxidation. Values of activation energy for water oxidation (9.31 kJ mol-1) and hydrazine hydrate oxidation (13.93 kJ mol-1) reveal that (Be,Mg,Ca,Sr,Zn,Ni)3O4 high entropy oxide is catalytically more active towards water oxidation as compared to that of hydrazine hydrate oxidation. Electrochemical impedance spectroscopy is also performed to get insight into the kinetics of both types of reactions.

• Nuclear Engineering and Technology
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• v.51 no.8
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• pp.1871-1885
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• 2019

The deterministic MOC code STREAM of the Computational Reactor Physics and Experiment (CORE) laboratory of Ulsan National Institute of Science and Technology (UNIST), was initially designed for the calculation of pressurized water reactor two- and three-dimensional assemblies and cores. Since fast reactors play an important role in the generation-IV concept, it was decided that the code should be upgraded for the analysis of fast neutron spectrum reactors. This paper presents a coupled code - TULIP/STREAM, developed for the fast reactor assembly and core calculations. The TULIP code produces self-shielded multi-group cross-sections using a one-dimensional cylindrical model. The generated cross-section library is used in the STREAM code which solves eigenvalue problems for a two-dimensional assembly and a multi-assembly whole reactor core. Multiplication factors and steady-state power distributions were compared with the reference solutions obtained by the continuous energy Monte-Carlo code MCS. With the developed code, a sensitivity study of the number of energy groups, the order of anisotropic P_N scattering, and the multi-group cross-section generation model was performed on the k_eff and power distribution. The 2D core simulation calculations show that the TULIP/STREAM code gives a k_eff error smaller than 200 pcm and the root mean square errors of the pin-wise power distributions within 2%.

• Journal of Radiation Protection and Research
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• v.42 no.4
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• pp.212-221
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• 2017

Background: This study aims to calculate detector positions as a design of a radioactive source localizing radiation portal monitor (RPM) system using an improved genetic algorithm. Materials and Methods: To calculate of detector positions for a source localizing RPM system optimization problem is defined. To solve the problem, a modified iterative genetic algorithm (MIGA) is developed. In general, a genetic algorithm (GA) finds a globally optimal solution with a high probability, but it is not perfect at all times. To increase the probability to find globally optimal solution rather, a MIGA is designed by supplementing the iteration, competition, and verification with GA. For an optimization problem that is defined to find detector positions that maximizes differences of detector signals, a localization method is derived by modifying the inverse radiation transport model, and realistic parameter information is suggested. Results and Discussion: To compare the MIGA and GA, both algorithms are implemented in a MATLAB environment. The performance of the GA and MIGA and that of the procedures supplemented in the MIGA are analyzed by computer simulations. The results show that the iteration, competition, and verification procedures help to search for globally optimal solutions. Further, the MIGA is more robust against falling into local minima and finds a more reliably optimal result than the GA. Conclusion: The positions of the detectors on an RPM for radioactive source localization are optimized using the MIGA. To increase the contrast of the measurements from each detector, a relationship between the source and the detectors is derived by modifying the inverse transport model. Realistic parameters are utilized for accurate simulations. Furthermore, the MIGA is developed to achieve a reliable solution. By utilizing results of this study, an RPM for radioactive source localization has been designed and will be fabricated soon.

• Journal of the Korean Electrochemical Society
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• v.14 no.1
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• pp.9-15
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• 2011

The composite membranes comprising of sulfonated polymers as matrix and ionic liquids as ion-conducting medium in replacement of water are studied to investigate the effect of annealing of the sulfonated polymers. The polymeric membranes are prepared on recast Nafion containing the ionic liquid, 1-ethyl-3-methylimidazolium tetrafluoroborate ($EMIBF_4$). The composite membranes are characterized by thermogravitational analyses, ion conductivity and small-angle X-ray scattering. The composite membranes annealed at $190^{\circ}C$ for 2 h after the fixed drying step showed better ionic conductivity, but no significant increase in thermal stability. The mean Bragg distance between the ionic clusters, which is reflected in the position of the ionomer peak (small-angle scattering maximum), is larger in the annealed composite membranes containing $EMIBF_4$ than the non-annealed ones. It might have been explained to be due to the different level of ion-clustering ability of the hydrophilic parts (i.e., sulfonic acid groups) in the non- and annealed polymer matrix. In addition, the ionic conductivity of the membranes shows higher for the annealed composite membranes containing $EMIBF_4$. It can be concluded that the annealing of the composite membranes containing ionic liquids due to an increase in ion-clustering ability is able to bring about the enhancement of ionic conductivity suitable for potential use in proton exchange membrane fuel cells (PEMFCs) at medium temperatures ($150-200^{\circ}C$) in the absence of external humidification.