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나노구조기판의 형상 및 온도변화에 따른 액체 클러스터의 거동에 대한 분자동역학적 연구
고선미 ( Sun Mi Ko ),정흥철 ( Heung Cheol Jeong ),최경민 ( Gyung Min Choi ),김덕줄 ( Duck Jool Kim ),( Masahiko Shibahara ) 한국액체미립화학회 2008 한국액체미립화학회지 Vol.13 No.1
Molecular dynamic simulations have been carried out to study the effect of the nano-structure substrate and its temperature on cluster laminating. The interaction between substrate molecules and liquid molecules was modeled in the molecular scale and simulated by the molecular dynamics method in order to understand behaviors of the liquid cluster on nano-structure substrate. In the present model, the Lennard-Jones potential is applied to mono-atomic molecules of argon as liquid and platinum as nano-structure substrate to perform simulations of molecular dynamics. The effect of wettability on a substrate was investigated for the various beta of Lennard-Jones potential. The behavior of the liquid cluster and nano-structure substrate depends on interface wettability and function of molecules force, such as attraction and repulsion, in the collision progress. Furthermore, nano-structure substrate temperature and beta of Lennard-Jones potential have effect on the accumulation ratio. These results of simulation will be the foundation of coating application technology for micro fabrication manufacturing.
최순호 한국마린엔지니어링학회 2004 한국마린엔지니어링학회지 Vol.28 No.3
The velocity distribution of gas molecules from the experimental results was confirmed as the same with the Maxwell-Boltzmann's theoretical results within the experimental error. This study is on the realization of the Maxwell-Boltzmann's velocity distribution of gas molecules by the molecular dynamics(MD) method. The Maxwell-Boltzmann's velocity distribution of gas molecules is extremely important to confirm the equilibrium state because the properties of a thermodynamic system shall be obtained from the system's equilibrium configuration in the MD method. This study is the first trial in the successive researches to calculate the properties of a thermodynamic system by the computer simulations. We confirmed that the maxwell-boltzmann's velocity distribution is developed in some transient time after starting a simulation and dependent on the size of a system. Also it is found that the velocity distribution has no relation with an initial configuration of gas molecules.
분자동역학법에 의한 기액계면 분자의 운동특성에 관한 고찰
김혜민,박권하,최현규,최순호,Kim Hye-Min,Park Kweon-Ha,Choi Hyun-Kue,Choi Soon-Ho 한국마린엔지니어링학회 2005 한국마린엔지니어링학회지 Vol.29 No.1
An experimental study of molecular motions on a liquid-vapor interface is limited due to micro-scale characteristics of a system with an angstrom or a nanometer size Therefore, in recent, many studies for micro-scale systems have been conducted by a computer simulation because it is free from experimental limitations. In this study, through the molecular dynamic (MD) method. molecular behavior was clarified on a liquid-vapor interface and a criterion to distinguish between liquid and vapor was suggested by a potential energy and the number of neighboring molecules. At an interface. the potential energy of a molecule was increased but the number of neighboring molecules was decreased when the molecule moved into a vapor region from a liquid region, and vice versa.
최현규,김혜민,최순열,김경근,최순호,Choi Hyun-Kue,Kim Hae-min,Choe Soon-Youl,Kim Kyung-Kun,Choi Soon-Ho 한국마린엔지니어링학회 2005 한국마린엔지니어링학회지 Vol.29 No.1
Generally. in the molecular dynamics simulations. the Verlet neighboring list algorithm is used for the reduction of a simulation time On the other hand. the application of the Verlet neighboring list forces the time evolution of a simulation system to follow an unrealistic path in a phase space. In equilibrium state, it does not matter with the simulation results because the individual molecule's motion is originally random and any effect due to a small deviation from a real time evolution can be completely ignored. However, if an unsteady state is involved. such a deviation may significantly affect to the results. That is, there is a Possibility that the simulation results Provide ones with any misleading data In this study we evaluated the effect due to the Verlet neighboring list in performing the simulation of a non-equilibrium state and suggested the method to avoid it.
정흥철(HeungCheol Jeong),고선미(SunMi Go),최경민(GyungMin Choi),김덕줄(DuckJool Kim) 대한기계학회 2007 대한기계학회 춘추학술대회 Vol.2007 No.5
The purpose of this study is to calculate the behavior of molecules for the generation of homogeneous thin-films in the process of spray deposition. The calculation system was composed of a suface molecular region and droplet molecular region. The thin-film was generated when droplet molecules fell to surface molecules. Lennard-Jones potential had been used as intermolecular potential, and only attraction and repulsion had been used for the behavior of the droplet on the solid surface. As results, the behavior of the droplet was so much influenced by the surface temperature in the spray deposition process. High temperature of surface has higher porosity and larger spread area. It was found that simulation results generally agreed well with previous the experimental results. This simulation result will be the foundation for the deposition processes of industry.
구리박막에서 수은 클러스터의 충돌거동에 대한 분자동역학적 연구
정흥철(HeungCheol Jeong),고선미(SunMi Go),최경민(GyungMin Choi),김덕줄(DuckJool Kim) 대한기계학회 2007 대한기계학회 춘추학술대회 Vol.2007 No.5
The interaction between metal molecules and liquid metal molecules was modeled in the molecular scale and simulated by the molecular dynamics method in order to understand behaviors of the cluster on metallic surface in collision process. Lennard-Jones potential had been used as intermolecular potential, and only attraction and repulsion had been used for the behavior of the cluster on the metal surface. As results, the behavior of the cluster was so much influenced by the cluster of liquid metal temperature and function of molecules forces, such as attraction and repulsion, in the collision progress. These results of simulation will be the foundation for the micro fabrication manufacturing by using spray application technology.
분자동역학 전산모사를 이용한 액체 나노제트 붕괴형성에 관한 연구
이상환(Sang-Hwan Lee),채동진(Dong-Jin Chae),안철오(Cheol-O Ahn),서인수(In-soo Seo) 한국유체기계학회 2006 유체기계 연구개발 발표회 논문집 Vol.- No.-
We studied the nanojet breakup formation process in a vacuum environment by using molecular dynamics simulation based on the Lennad-Jonces potential. The nanojet breakup characteristics are subsequently affected by temperature, velocity, and nozzle sizes. We have found various rupture phenomena and the formation of small droplets. Observed the growth rate of the disturbance length and the drop size compare to the Rayleigh theory. The result show that the rupture phenomena on nanojet is in accordance with the theoretical and experimental investigation.