• Journal of Ocean Engineering and Technology
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• v.24 no.6
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• pp.1-6
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• 2010

A far field approximate solution of the slowly varying force on a 3 dimensional offshore structure in gravity ocean waves is presented. The first order potential, or at least the far field form of the Kochin function, of each frequency wave is assumed to be known. The momentum flux of the fluid domain is formulated to find the time variant force acting on the floating body in bichromatic waves. The second order difference frequency force is identified and extracted from the time variant force. The final solution is expressed as the circular integration of the product of Kochin functions. The limiting form of the slowly varying force is identical to the mean drift force. It shows that the slowly varying force components caused by the body disturbance potential can be evaluated at the far field.

• Membrane Journal
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• v.27 no.4
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• pp.358-366
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• 2017

The most important factor in the performances of polymer electrolyte membranes for fuel cells is how fast hydrogen ions can be transported along the water channel formed inside the electrolyte membrane. Since the morphology of the water channel and the diffusivity of the protons are very important factors for the proton transport behavior, various molecular dynamics simulation studies are being carried out to clarify this. The force-field is an important variable parameterizing the movement and interaction of each atom in molecular dynamics simulation. In this study, proton diffusivities of the 3D models of polymer electrolyte membranes were calculated in order to analyze the effects of various types of force-fields on the molecular simulation. It has been found that the charge value determining the non-bonding interaction plays a very important role in the formation of the water channel morphology, and the COMPASS force-field can calculate the accurate proton diffusion behavior. Accordingly, for molecular dynamics simulation of polymer electrolyte membranes, the proper selection of the force-field is very important due to its great effect on the proton diffusion as well as the final molecular structure.

• Membrane Journal
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• v.29 no.1
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• pp.37-43
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• 2019

In this study, we investigated how the force-field, which is the most important factor to define atomic motion in molecular dynamics (MD), affects the motion of the polymer and gas molecules. The repeat units and the polymer structure were well simulated in all five force-fields, and the distribution of the polymer linear chain in the final polymer 3D model did not show any significant difference. However, the movement of actual gas molecules showed a very different tendency, which was also observed in COMPASS and pcff using the same functional form. Therefore, even if the same structure is used, it can be seen that the motion of the gas molecule moves under the influence of the force-field continuously over time, so that the effect is much larger than that of macromolecules such as a polymer linear chain. Accordingly, in case of using different force-fields, it is necessary to be very careful in comparison of those results.

• Journal of the Korean Society for Aviation and Aeronautics
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• v.26 no.2
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• pp.47-53
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• 2018

In this paper, we investigate a collision avoidance algorithm for unmanned aerial vehicles using potential field based on the relative velocity of obstacles. The potential field consists of the attraction force and the repulsive force that are generated for the target and the obstacles. And the field can be classified into the attractive potential field generated by the target and the repulsive potential field generated by the obstacle, respectively. In this study, we construct an attractive potential field as a function of the distance between the UAV and the target position. On the other hand, a repulsive potential field is created by a function of distance and the relative velocity of the obstacle with respect to the UAV. The proposed potential field based collision avoidance algorithm is evaluate through simulations.

• Progress in Superconductivity and Cryogenics
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• v.15 no.3
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• pp.13-19
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• 2013

Superconducting field coils using a high-temperature superconducting (HTS) wires with high current density generate high magnetic field of 2 to 5 [T] and electromagnetic force (Lorentz force) acting on the superconducting field coils also become a very strong from the point of view of a mechanical characteristics. Because mechanical stress caused by these powerful electromagnetic force is one of the factors which worsens the critical current performance and structural characteristics of HTS wire, the mechanical stress analysis should be performed when designing the superconducting field coils. In this paper, as part of structural design of superconducting field coils for 17 MW class superconducting ship propulsion motor, mechanical stress acting on the superconducting field coils was analyzed and structural safety was also determined by the coupling analysis system that is consists of commercial electromagnetic field analysis program and structural analysis program.

• Progress in Superconductivity and Cryogenics
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• v.20 no.2
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• pp.20-23
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• 2018

The practical use of superconducting magnets is limited to medical equipment, energy equipment and the like. Therefore, it does not fully utilize the superior features of superconducting magnet or magnetic force. In order to overcome this blockage condition, The international Forum on Magnetic Force Control (IFMFC) was launched in Tokyo in 2010 by the magnetic separation researchers in Japan, Korea and China. The policy is to hold around the country every year, to apply the application to the engineering field of magnetic force utilization and information exchange about the development of applied science to mutual visit of researchers and to develop the application field of superconducting magnets in particular. The main object is to review the field of application of magnetic force with respect to published papers at 8 IFMFCs, and to introduce the trend of research forum utilizing strong magnetic force which is rare in the world. The United Nations is asking each country to achieve Corporate Social Responsibility (CSR) targets for 2030. This IFMFC review will be utilized in this field.

• Bulletin of the Korean Chemical Society
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• v.31 no.10
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• pp.2903-2908
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• 2010

Protein S-nitrosation is common in cells under nitrosative stress. In order to model proteins with S-nitrosocysteine (CysSNO) residues, we first developed an Amber force field for S-nitrosoethanethiol (EtSNO) and then transferred it to CysSNO. Partial atomic charges for EtSNO and CysSNO were obtained by a restrained electrostatic potential approach to be compatible with the Amber-99 force field. The force field parameters for bonds and angles in EtSNO were obtained from a generalized Amber force field (GAFF) by running the Antechamber module of the Amber software package. The GAFF parameters for the CC-SN and CS-NO dihedrals were not accurate and thus determined anew. The CC-SN and CS-NO torsional energy profiles of EtSNO were calculated quantum mechanically at the level of B3LYP/cc-pVTZ//HF/6-$31G^*$. Torsional force constants were obtained by fitting the theoretical torsional energies with those obtained from molecular mechanics energy minimization. These parameters for EtSNO reproduced, to a reasonable accuracy, the corresponding torsional energy profiles of the capped tripeptide ACE-CysSNO-NME as well as their structures obtained from quantum mechanical geometry optimization. A molecular dynamics simulation of myoglobin with a CysSNO residue produced a well-behaved trajectory demonstrating that the parameters may be used in modeling other S-nitrosated proteins.

• Progress in Superconductivity and Cryogenics
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• v.24 no.3
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• pp.52-56
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• 2022

Single-grain (c-normal or c-parallel) and multi-grain YBCO superconductors were prepared by a melt growth process with/without seeding. The magnetic levitation force and trapped magnetic field at liquid N₂ temperature (77 K) of the YBCO superconductors were investigated. Samples for the levitation force measurement were zero-field cooled (ZFC) to 77 K, and samples for trapped field measurement were field-cooled (FC) using Nd magnets. As for the magnetic levitation force, the c-normal, single grain sample showed the largest value, whereas the multi-grain sample showed the lowest value. The trapped magnetic field of the c-normal and c-parallel single-grain samples was 4-5 times that of the multi-grain sample. In addition, as the external magnetic field (the number of magnets) increased, the both properties increased proportionally. These results were explained in terms of the orientation dependence of the levitation forces and the magnetic field trapping capability of the YBCO superconductor.

• Bioinformatics and Biosystems
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• v.1 no.2
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• pp.103-108
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• 2006

Computational prediction of protein-ligand binding has been widely used as a tool to discover lead compounds fur new drugs. Prediction accuracy is determined in part by the scoring function used in docking calculations. Diverse scoring functions are available, and these can be classified into force-field based, empirical, and knowledge-based functions depending upon the basic assumptions made in development. Among these, force-field based functions consider physical interactions the most in detail. However, the force-field based functions have the drawback of not including the entropic effect while considering only the energy contribution such as dispersion or electrostatic forces. In this article, a method to take into account of the entropic effect using the colony energy is suggested when force-field based scoring functions is used by extracting conformational information obtained from the pre-existing docking program. An improved result for decoy discrimination is illustrated when the method is applied to the DOCK scoring function, and this implies that more accurate docking calculation is possible.

• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.253-261
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• 2002

Vibrational properties of ferrocyanide complex ion, $[Fe(CN)_6]^{4-}$ , have been studied based on the force constants obtained from the density functional calculations at B3LYP/$6-31G^{\ast\ast}$ level by means of the normal mode analysis using new bond angle and linear angle internal coordinates recently developed. Vibrations of ferrocyanide were manipulated by twenty-three symmetry force constants. The angled bending deformations of C-Fe-C, the linear bending deformations of Fe-C${\equiv}$N and the stretching vibrations of Fe-C have been quantitatively assigned to the calculated frequencies. The force constants in the internal coordinates employed in the modified Urey-Bradley type potential were evaluated on the density functional force field applied, and better interaction force constants in the internal coordinates have been proposed. The valence force constants in the general quadratic valence force field were also given. The stretch-stretch interaction and stretch-bending interaction constants are not sensitive to the geometrical displacement in the valence force field.