• Tribology and Lubricants
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• v.39 no.6
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• pp.273-277
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• 2023

This paper presents a molecular dynamics simulation-based numerical investigation of the influence of surface energy on water lubrication. Models composed of a crystalline substrate, half cylindrical tip, and cluster of water molecules are prepared for a tribological-characteristic evaluation. To determine the effect of surface energy on lubrication, the surface energy between the substrate and water molecules as well as that between the tip and water molecules are controlled by changing the interatomic potential parameters. Simulations are conducted to investigate the indentation and sliding processes. Three different normal forces are applied to the system by controlling the indentation depth to examine the influence of normal force on the lubrication of the system. The simulation results reveal that the solid surface's surface energy and normal force significantly affect the behavior of the water molecules and lubrication characteristics. The lubrication characteristics of the water molecules deteriorate with the increasing magnitude of the normal force. At a low surface energy, the water molecules are readily squeezed out of the interface under a load, thus increasing the frictional force. Contrarily, a moderate surface energy prevents expulsion of the water molecules due to squeezing, resulting in a low frictional force. At a high surface energy, although squeezing of the water molecules is restricted, similar to the case of moderate surface energy, dragging occurs at the soil surface-water molecule interface, and the frictional force increases.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.33 no.8
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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.

• Proceedings of the KSME Conference
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• 2008.11a
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• pp.1891-1895
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• 2008

Water covers 70% of the earth's surface and the human body consist of 75% of it. It is clear that water is one of the prime elements responsible for life on earth. Over the last 30 years or so, numerous studies have attempted to find out more about the water microscopically. In this paper, we investigated how the receding and advancing contact angle of the moving water droplet changes on a solid surface having various LJ epsilon parameters. To observe the dynamic contact angle history, a body force applied to all water molecules after obtained the water droplet in equilibrium with the solid surface. We obtained the density profile and receding and advancing contact angle of the moving water droplet

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.360-360
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• 2010

Very initial stage of oxidation process of Si (001) surface was investigated using large scale molecular dynamics simulation. Reactive force field potential was used for the simulation owing to its ability to handle charge variation associated with the oxidation reaction. To know the detail mechanism of both adsorption and desorption of water molecule (for simulating wet oxidation), oxygen molecule (for dry oxidation) and their atom constituents, interaction of one molecule with Si surface was carefully observed. The simulation is then continued with many water and oxygen molecules to understand the kinetics of oxide growth. The results show that possibilities of desorption and adsorption depend strongly on initial atomic configuration as well as temperature. We observed a tendency that H atoms come relatively into deeper surface or otherwise quickly desorbed away from the silicon surface. On the other hand, most oxygen atoms are bonded with first layer of silicon surface. We also noticed that charge transfer is only occur in nearest neighbor regime which has been pointed out by DFT calculation. Atomic structure of the interface between the oxide and Si substrate was characterized in atomic scale.

• Journal of Korean Society on Water Environment
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• v.22 no.5
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• pp.815-823
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• 2006

The hydrologic cycle in urban catchment has been changed due to the expansion of impervious area by rapid urban development. In this study, the SWMM 5 (Storm Water Management Model 5) model was used to simulate the hydrologic cycle of the Dorimcheon catchment which suffers from the distorted hydrologic cycle as a typical urban catchment. This study compare continuous simulation of urban runoff combining the channel and sewer system with that of channel only in the Dorimcheon catchment. Continuous simulations of urban runoff were performed for the upstream basin of Dorim bridge. The urban impervious regions were processed by the land use analysis from LANDSAT_TM images. It was performed from 1975 to 2000 for every five years. Surface, groundwater and wastewater runoffs were additionally included in the simulations one at a time. Such simulations made it possible to evaluate those components quantitatively. The result of continuous simulation of urban runoff combining the channel and sewer system is that peak flow and recession are well simulated. The analysis results of urbanization effect on runoff are as follows: the surface runoff in 2000 increases to 64% of the whole precipitation whereas the surface runoff in 1975 amounts to 46% of the precipitation; the groundwater runoff in 2000 amounts to 6% and shows 8% decrease during the period from 1975 to 2000.

• International Journal of Naval Architecture and Ocean Engineering
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• v.6 no.2
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• pp.219-235
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• 2014

With the development of the technology of underwater moving bodies, the need for developing the knowledge of surface effect interaction of free surface and underwater moving bodies is increased. Hence, the two-phase flow is a subject which is interesting for many researchers all around the world. In this paper, the non-linear free surface deformations which occur during the water-exit of a circular cylinder due to its buoyancy are solved using finite volume discretization based code, and using Volume of Fluid (VOF) scheme for solving two phase flow. Dynamic mesh model is used to simulate dynamic motion of the cylinder. In addition, the effect of cylinder mass in presence of an external force is studied. Moreover, the oblique exit and entry of a circular cylinder with two exit angles is simulated. At last, water-exit of a circular cylinder in six degrees of freedom is simulated in 3D using parallel processing. The simulation errors of present work (using VOF method) for maximum velocity and height of a circular cylinder are less than the corresponding errors of level set method reported by previous researchers. Oblique exit shows interesting results; formation of waves caused by exit of the cylinder, wave motion in horizontal direction and the air trapped between the waves are observable. In 3D simulation the visualization of water motion on the top surface of the cylinder and the free surface breaking on the front and back faces of the 3D cylinder at the exit phase are observed which cannot be seen in 2D simulation. Comparing the results, 3D simulation shows better agreement with experimental data, specially in the maximum height position of the cylinder.

• International Journal of Contents
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• v.4 no.2
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• pp.7-12
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• 2008

In this paper, we present a real-time physical simulation model of water surfaces with a novel method to represent the water mass flow in full three dimensions. In a physical simulation model, the state of the water surfaces is represented by a set of physical values, including height, velocity, and the gradient. The evolution of the velocity field in previous works is handled by a velocity solver based on the Navier-Stokes equations, which occurs as a result of the unevenness of the velocity propagation. In this paper, we integrate the principle of the mass conservation in a fluid of equilateral density to upgrade the height field from the unevenness, which in mathematical terms can be represented by the divergence operator. Thus the model generates waves induced by horizontal velocity, offering a simulation that puts forces added in all direction into account when calculating the values for height and velocity for the next frame. Other effects such as reflection off the boundaries, and interactions with floating objects are involved in our method. The implementation of our method demonstrates to run with fast speed scalable to real-time rates even for large simulation domains. Therefore, our model is appropriate for a real-time and large scale water surface simulation into which the animator wishes to visualize the global fluid flow as a main emphasis.

• Proceedings of the Korea Water Resources Association Conference
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• 2005.09b
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• pp.842-845
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• 2005

A method for the numerical simulation of two-dimensional free-surface flow resulting from the propagation of regular gravity waves over topography with arbitrary bottom shape is presented. The method is based on the numerical solution of the Euler equations subject to the fully nonlinear free-surface boundary conditions and the appropriate bottom, inflow and outflow conditions using a hybrid finite-differences and spectral-method scheme. The formulation includes a boundary-fitted transformation, and is suitable for extension to incorporate large-eddy simulation (LES) and large-wave simulation (LWS) terms for turbulence and breaking wave modeling, respectively. Results are presented for the simulation of the free-surface flow over two different bottom topographies, with constant slope values of 1:10 and 1:20, two different inflow wave lengths and two different inflow wave heights. An absorption outflow zone is utilized and the results indicate minimum wave reflection from the outflow boundary. Over the bottom slope, lengths of waves in the linear regime are modified according to linear theory dispersion, while wave heights remain more or less unchanged. For waves in the nonlinear regime, wave lengths are becoming shorter, while the free surface elevation deviates from its initial sinusoidal shape.

• Korean Journal of Air-Conditioning and Refrigeration Engineering
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• v.22 no.2
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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.

• Proceedings of the KSRS Conference
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• v.2
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• pp.892-895
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• 2006

The atmospheric effects on the retrieval of sea ice concentration from passive microwave sensors are examined using simulated data typical for the Arctic summer. The simulation includes atmospheric contributions of cloud liquid water and water vapor and surface wind on surface emissivity on the microwave signatures. A plane parallel radiative transfer model is used to compute brightness temperatures at SSM/I frequencies over surfaces that contain open water, first-year (FY) ice and multi-year (MY) ice and their combinations. Synthetic retrievals in this study use the NASA Team (NT) algorithm for the estimation of sea ice concentrations. This study shows that if the satellite sensor’s field of view is filled with only FY ice the retrieval is not much affected by the atmospheric conditions due to the high contrast between emission signals from FY ice surface and the signals from the atmosphere. Pure MY ice concentration is generally underestimated due to the low MY ice surface emissivity that results in the enhancement of emission signals from the atmospheric parameters. Simulation results in marginal ice areas also show that the atmospheric and surface effects tend to degrade the accuracy at low sea ice concentration. FY ice concentration is overestimated and MY ice concentration is underestimated in the presence of atmospheric water and surface wind at low ice concentration. In particular, our results suggest that strong surface wind is more important than atmospheric water in contributing to the retrieval errors of total ice concentrations over marginal ice zones.