• Journal of Scientific & Technological Knowledge Infrastructure
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• s.5
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• pp.99-103
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• 2001

• Journal of the Korean Vacuum Society
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• v.10 no.3
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• pp.283-288
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• 2001

We have investigated aluminum cluster deposition using a classical molecular dynamics simulations. We studied the variations of the cluster momentum and the impulse force during collisions, and found that the close-packed cluster impact has some of properties of the single particle collision and the linear atomic chain collisions. We also simulated the series of energetic cluster deposition with energy Per atom. When energy Per atom in cluster has some eV rather than very low, the intermixing occurred easily in growth film and we can obtain a good film without subsequent annealing process.

• Journal of the Korean Vacuum Society
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• v.9 no.3
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• pp.273-278
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• 2000

We studied aluminum cluster deposition using molecular dynamics simulation. We investigated the variations of the substrate temperature and disordered atom number during cluster impact, and found that the correlated collisions between aluminum atoms in the cluster play a very important role in the impact on aluminum substrate surface. The correlated collisions effect is proportional to the cluster size.

• Proceedings of the KSME Conference
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• 2007.05a
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• pp.326-331
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• 2007

Large-scale molecular dynamics simulations are performed to verify the deformation characteristics of grain boundaries in nanolithography process. The copper substrate made of 200,000 atoms is constructed by two grains in different crystal orientations using dynamic relaxation method. The grain boundary is located in the middle of the substrate with $45\sim135$ degree angles. The plowing tip is made of diamond-like-carbon atoms in a variety of shapes. In the simulations, the generation, propagation, and accumulation of dislocations are observed inside the substrate. From the numerical results, we address the dynamic behavior of the grain boundaries as well as the frictional characteristics in terms of the morphology of initial grain boundaries.

• Proceedings of the Korean Society Of Semiconductor Equipment Technology
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• 2007.06a
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• pp.199-202
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• 2007

본 논문에서는 탄소나노튜브 기반 비휘발성 메모리 소자를 설계하고 분자동력학 방법을 이용하여 이중벽 탄소나노튜브 구성된 소자에 대하여 동작 특성을 분석하였다. 탄소나노튜브는 탄소-탄소 반데르발스 힘과 탄소나노튜브-금속 결합력 간의 균형점에서 국부적으로 안정화 되도록 하는 방법으로, 탄소나노튜브와 양쪽에서 간격을 두고 마주대하는 소스 및 드레인 전위를 조절함으로써 탄소나노튜브에 유도된 정전기인력으로 내부 탄소나노튜브의 움직임을 제어한다. 본 나노메모리 소자는 테라급 재기록 비휘발성 나노메모리(Rewritable Non-Volatile Nano-Memory)로 활용될 수 있으며, 2bit 뿐만 아니라 3bit 정보저장 소자로 활용될 수 있다. 분자동력학 결과는 정보저장 동안에 발생되는 탄소나노튜브와 금속전극 사이의 충돌은 메모리 소자의 동작 속도 및 비휘발성 특성에 매우 중대한 영향을 미치게 될 것을 알 수 있었다.

• Transactions of the Korean Society of Mechanical Engineers
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• v.8 no.2
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• pp.178-183
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• 1984

The stresses in lubricants by external force lead to rise in temperature and drop in viscosty, and the performance of lubricants decrease by this phenomena. The processes of shear stress generation and relaxation are linear under light load condition but those are changed into nonlinearly over a certain limit of load and speed, and this phenomena influences to viscosty change. This study investigates dense fluid which carries property change for high shear rate by using molecular dynamics, and that result can be related to research a behavior of property change of lubricants under high speed and heavy load.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.28 no.5
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• pp.547-553
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• 2004

A hemispherical asperity moving over a flat plane is simulated based on classical molecular dynamics. The asperity and the plane consist of silicon atoms whose interactions are governed by the Tersoff three-body potential. The gap between the asperity and the plane is maintained to produce attractive normal force in order to investigate the adhesive friction and wear. The simulation focuses on the influence of crystallographic orientation of the contacting surfaces and the moving direction. It is demonstrated that the adhesive friction and wear are lower when crystallographic orientations of the contacting surfaces are different, and also depend on the moving direction relative to the crystal1ographic orientation.

• Asia-pacific Journal of Multimedia Services Convergent with Art, Humanities, and Sociology
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• v.8 no.6
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• pp.939-946
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• 2018

In this work, we present simple schematics for a three-terminal graphene-based nanoelectromechanical switch with the vertical electrode, and we investigated their operational dynamics via classical molecular dynamics simulations. The main structure is both the vertical pin electrode grown in the center of the square hole and the graphene covering on the hole. The potential difference between the bottom gate of the hole and the graphene of the top cover is applied to deflect the graphene. By performing classical molecular dynamic simulations, we investigate the nanoelectromechanical properties of a three-terminal graphene-based nanoelectromechanical switch with vertical pin electrode, which can be switched by the externally applied force. The elastostatic energy of the deflected graphene is also very important factor to analyze the three-terminal graphene-based nanoelectromechanical switch. This simulation work explicitly demonstrated that such devices are applicable to nanoscale sensors and quantum computing, as well as ultra-fast-response switching devices.

• Proceedings of the Korean Society for Technology of Plasticity Conference
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• 2004.05a
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• pp.62-65
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• 2004

Recently, an approach for nanoscale deformation has been developed that couples the atomistic and continuum approaches using Finite Element Method (FEM) and Molecular Dynamics (MD). However, this approach still has problems to connect two approaches because of the difference of basic assumptions, continuum and atomistic. To solve this problem, an alternative way is developed that connects the quasimolecular dynamics (QMD) and molecular dynamics (MD). In this paper, we suggest the way to make and validate the MD-QMD coupled model.

• Membrane Journal
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• v.25 no.2
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• pp.162-170
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• 2015

In this study, gas permeability of polyimide materials having a various amine group was measured and molecular dynamics was used to analyze the dynamic characteristics of the gas molecules in the polyimide by calculating the position and velocity of the gas molecules with change of the time. The gas permeability of polyimide membrane having substitution site which increase free volume in the polymer was increased. However, polyimide with rigid structure showed decreased gas permeability. As a result of analyzing the change in the gas permeation behavior using molecular dynamics simulations, we confirmed that the results show the same tendency with actual measurements of the gas permeability.