• 한국해양공학회지
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• 제24권6호
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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.

• 멤브레인
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• 제27권4호
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• pp.358-366
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• 2017

연료전지용 전해질막의 성능에 있어서 가장 중요한 요소는 수소이온이 전해질막 내부에 형성된 수화채널을 따라서 얼마나 빨리 전달될 수 있느냐이다. 여기에는 수화채널의 모폴로지 및 수소이온의 확산도 등이 매우 중요한 요소가 되는데, 이를 규명하기 위하여 다양한 분자동역학 전산모사 연구가 진행되고 있다. 분자동역학 계산에 있어서 각 원자의 움직임 및 상호작용을 미리 변수화 시켜 놓은 force-field는 필수 요소 중 하나로서, 본 연구에서는 이러한 force-field의 종류가 전해질막 전산모사에 미치는 영향을 분석하기 위하여, 다양한 force-field를 이용하여 연료전지용 전해질막의 수소이온 확산도를 계산하였다. 이 과정에서 non-bonding interaction을 결정하는 전하 값이 수화채널 모폴로지 형성에 매우 중요한 역할을 한다는 것이 밝혀졌으며, COMPASS force-field가 가장 정확한 수소이온 확산도 값을 얻음으로써 연료전지용 전해질막의 전산모사에 있어서 가장 적절한 force-field일 것으로 판단된다. 이러한 force-field의 적절한 선정은 최종 분자 구조 뿐만 아니라 수소이온 확산도에도 큰 영향을 주는 것을 알 수 있었으며, 연료전지용 전해질막 전산모사 수행 시에는 이러한 부분을 충분히 감안하여 force-field를 선택하여야 할 것이다.

• 멤브레인
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• 제29권1호
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• pp.37-43
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• 2019

본 연구에서는 분자동역학에서 원자의 움직임을 정의하는 가장 중요한 요소인 force-field가 실제 고분자 및 기체 분자의 움직임에 어떠한 영향을 주는지 알아보고자 하였다. Repeat unit과 고분자 구조는 본 연구에서 사용된 5종의 force-field 에서 모두 정상적으로 작용을 하였고, 최종 고분자 3D 모델에서 고분자 linear chain의 분포에서도 큰 차이를 보이지 않았다. 그러나 실제 기체 분자의 움직임은 매우 다른 경향을 나타내었으며, 이는 같은 functional form을 사용하는 COMPASS와 pcff 에서도 관찰되었다. 따라서 동일한 구조라고 하더라도 기체 분자의 운동은 시간에 따라 지속적으로 force-field의 영향 하에서 움직이기 때문에, 고분자 linear chain과 같은 거대 분자에 비하여 그 영향을 훨씬 크게 받는다는 것을 알 수 있으며, 결론적으로 서로 다른 force-field의 사용 시에는 결과 비교에 있어서도 매우 신중을 기해야 할 것이다.

• 한국항공운항학회지
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• 제26권2호
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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.

• 한국초전도ㆍ저온공학회논문지
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• 제15권3호
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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.

• 한국초전도ㆍ저온공학회논문지
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• 제20권2호
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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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• 제31권10호
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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.

• 한국초전도ㆍ저온공학회논문지
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• 제24권3호
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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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• 제1권2호
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• pp.103-108
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• 2006

단백질-리간드 결합 예측은 새로운 신약 선도 물질을 발견하고 최적화 하는데 있어서 중요한 도구로 널리 사용되고 있다. 결합의 정확도는 일반적으로 각 결합 계산에서 사용되는 평가 함수(scoring function)에 따라 결정된다. 평가 함수는 그 함수가 가지고 있는 기력 가정에 따라 force-field based, empirical, knowledge-based의 세 가지로 분류할 수 있다. 이 중에서 force-field based 함수는 물리적인 상호작용을 가장 구체적으로 기술한다. 그러나 현재 제시된 대부분의 force-field based 함수들은 분산력과 정전기적인 힘 등의 에너지만을 고려할 뿐 엔트로피의 영향을 포함하지 않는 단점을 가지고 있다. 본 논문에서는 force-field based 평가 함수를 이용하는 경우 기존의 도킹 프로그램이 생성해 내는 구조 정보를 활용하여, 엔트로피를 고려할 수 있는 방법을 제시한다. 또한 이 방법을 DOCK 평가 함수에 적용시켰을 때 decoy discrimination에서 향상된 결과를 얻어낼 수 있음을 보였다. 이는 더 정확한 도킹 계산이 가능함을 의미한다.

• Bulletin of the Korean Chemical Society
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• 제23권2호
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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.