• 대한기계학회논문집B
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• 제33권8호
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• pp.559-564
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• 2009

The variation in the shape of water droplet moving on atomistically smooth solid surface in the presence of a constant body force is simulated using molecular dynamics simulation. We investigated how the advancing and receding contact angle of the moving water droplet changes on a solid surface having various characteristic energies. From the MD simulation results, we obtained the density profile defined as the number of water molecules at a given position. Then, assuming the water droplet periphery to be a circle, we calculated the contact angles by using a nonlinear fitting of the half-density contour line. The present simulation clearly shows the different profile of the advancing and receding contact angle for these three different interaction potential between the water droplet and the solid surface.

• 대한기계학회논문집B
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• 제40권10호
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• pp.659-666
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• 2016

본 연구는 길이에 따른 사각 기둥 타입을 변수로 선정하여 각각의 길이 패턴을 지닌 고체 표면에서의 물 액적 젖음 특성을 분자 동역학을 이용하여 규명하였다. 기둥의 표면 형상을 정사각형과 직사각형의 형태로 가정하였고, 정해진 형상에서의 표면 면적을 증가시켰다. 정사각형 형상의 경우 각 변의 길이가 $4.24{\AA}$, $8.48{\AA}$, $12.72{\AA}$로 증가하였으며, 직사각형 형상의 경우 고정된 한 변은 $8.48{\AA}$의 길이를 가지며 다른 한 변의 길이는 $4.24{\AA}$, $8.48{\AA}$, $12.72{\AA}$로 증가하였다. 이러한 길이 변화를 통해 사각기둥 표면형상의 변화 및 전체 고체표면의 면적 대비 기둥이 차지하는 면적의 비율에 따른 물 액적의 변화를 살펴보고, 표면과 물 액적과의 접촉각을 측정하여 비교 분석하였다.

• 한국가시화정보학회지
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• 제13권1호
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• pp.49-53
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• 2015

Recently, researches for droplet impact phenomena have been faced a new phase in the direction of studying the effect of complex external conditions (e.g. wettability, temperature, morphology, electric field, etc.) for depth understanding and precise controlling in various applications. Hence, here we investigated the electrified droplet impact phenomena, because there were few quantitative researches for electrified droplet impact when we considering many real applications such as electrospray, electrohydrodynamic (EHD) jet printing. To observe interaction effect of surface charge between substrate and droplet simultaneously, micro-droplets with various Reynolds number (Re) and Weber number (We) were dripped on super-hydrophobic surface with existence and nonexistence of electrical surface charge. It shows three kinds of impact behaviors, fully bouncing, partial bouncing, and splashing with different We. Also, charged droplet bounced higher on electrically charged surface than on non-charged surface. Additionally, transition regions of three impact behaviors were classified quantitatively with water hammer pressure value, which means instant pressure inside droplet at the impact moment.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2003년도 추계학술대회
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• pp.121-126
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• 2003

A study of argon droplet vaporization is conducted using molecular dynamics, instead of using traditional methods such as the Navier-Stokes equation. Molecular dynamics uses Lagrangian frame to describe molecular behavior in a system and uses only momentum and position data of all molecules in the system. So every property is not a hypothetical input but a statistical result calculated from the momentum and position data. This work performed a simulation of the complete vaporization of a three dimensional submicron argon droplet within quiescent environment. Lennard-Jones 12-6 potential function is used as a intermolecular potential function. The molecular configuration is examined while an initially non-spherical droplet is changed into the spherical shape and droplet evaporates. And the droplet radius versus time is calculated with temperature and pressure profile.

• 설비공학논문집
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• 제22권2호
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• pp.64-69
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• 2010

We investigated the variation in contact angle of a nano-sized water droplet on a nano stripe-patterned surface using molecular dynamics simulation. By changing the height and width of the stripe pillar, and the gap width of the stripes, we observed the contact angle of water droplet in equilibrium. When the surface energies were 0.1 and 0.3 kcal/mol, the calculated contact angles were in good agreement with the Cassie and Baxter equation. However, when the surface energy is 0.5 kcal/mol, the contact angles are observed to be perturbed along the Cassie and Baxter equation.