• Journal of the Korean Society of Manufacturing Process Engineers
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• v.17 no.5
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• pp.111-116
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• 2018

Thermal fusion bonding is a method to enclose open microchannels fabricated on polymer chips for use in lab-on-a-chip (LOC) devices. Polymethyl methacrylate (PMMA) is utilized in various biomedical-microelectromechanical systems (bio-MEMS) applications, such as medical diagnostic kits, biosensors, and drug delivery systems. These applications utilize PMMAs biochemical compatibility, optical transparency, and mold characteristics. In this paper, we elucidate both the conformational entanglement of PMMA molecules at the contact interfacial regime, and the qualitative nature of the thermal fusion bonding phenomena through systematic molecular dynamics simulations.

• Nuclear Engineering and Technology
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• v.54 no.8
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• pp.3166-3175
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• 2022

The most numerical investigations of the thermal-hydraulic phenomena following the loss of the residual heat removal capability during the mid-loop operation of the pressurized water reactor were performed according to simplifications and are not sufficiently accurate. To perform more accurate and more reliable predictions of thermal-hydraulic accidents in a nuclear power plant using computational fluid dynamics codes, a more detailed methodology is needed. Modelling results identified that thermal stratification and natural convection are observed. Temperatures of lower monitoring points remain low, while temperatures of upper monitoring points increase over time. The water in the heated region, in the upper unheated region and the pipe region was well mixed due to natural convection, meanwhile, there is no natural convection in the lower unheated region. Water temperature in the pipe region increased after a certain time delay due to circulation of flow induced by natural convection in the heated and upper unheated regions. The modelling results correspond to the experimental data. The developed computational fluid dynamics methodology could be applied for modelling of two-component single/two-phase natural convection and thermal stratification phenomena during the mid-loop operation of the pressurized water reactor or other nuclear and non-nuclear installations at similar conditions.

• Bulletin of the Korean Chemical Society
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• v.12 no.3
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• pp.309-315
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• 1991

The thermal transport coefficients-the self-diffusion coefficient, shear viscosity, and thermal conductivity-of liquid argon at 94.4 K and 1 atm are calculated by non-equilibrium molecular dynamics (NEMD) simulations of a Lennard-Jones potential and compared with those obtained from Green-Kubo relations using equilibrium molecular dynamics (EMD) simulations and with experimental data. The time-correlation functions-the velocity, pressure, and heat flux auto-correlation functions-of liquid argon obtained from the EMD simulations show well-behaved smooth curves which are not oscillating and decaying fast around 1.5 ps. The calculated self-diffusion coefficient from our NEMD simulation is found to be approximately 40% higher than the experimental result. The Lagrange extrapolated shear viscosity is in good agreement with the experimental result and the asymptotic formula of the calculated shear viscosities seems to be an exponential form rather than the square-root form predicted by other NEMD studies of shear viscosity. The agreement for thermal conductivity between the simulation results (NEMD and EMD) and the experimental result is within statistical error. In conclusion, through our NEMD and EMD simulations, the overall agreement is quite good, which means that the Green-Kubo relations and the NEMD algorithms of thermal transport coefficients for simple liquids are valid.

• Bulletin of the Korean Chemical Society
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• v.35 no.12
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• pp.3527-3531
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• 2014

In this paper, we report thermodynamic and transport properties (diffusion coefficient, viscosity, and thermal conductivity) of diatomic gases ($H_2$, $N_2$, $O_2$, and $Cl_2$) at 273.15 K and 1.00 atm by performing molecular dynamics simulations using Lennard-Jones intermolecular potential and modified Green-Kubo formulas. The results of self-diffusion coefficients of diatomic gases obtained from velocity auto-correlation functions by Green-Kubo relation are in good agreement with those obtained from mean square displacements by Einstein relation. While the results for viscosities of diatomic gases obtained from stress auto-correlation functions underestimate the experimental results, those for thermal conductivities obtained from heat flux auto-correlation functions overestimate the experimental data except $H_2$.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2004.03a
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• pp.257-261
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• 2004

Computational fluid dynamics analysis was carried out for thermo-chemical flow field in Arcjet thruster with mono-propellant Hydrazine ($N_2$H$_4$) as a working fluid. The theoretical formulation is based on the Reynolds Averaged Navier-Stokes equations for compressible flows with thermal radiation. The electric potential field governed by Maxwell equation is loosely coupled with the fluid dynamics equations through the Ohm heating and Lorentz force. Chemical reactions were assumed being infinitely fast due to the high temperature field inside the arcjet thruster. An equilibrium chemistry module for nitrogen-hydrogen mixture and a thermal radiation module for optically thin media were incorporated with the fluid dynamics code. Thermo-physical process inside the arcjet thruster was understood from the flow field results and the performance prediction shows that the thrust force is increased by amount of 3 times with 0.6KW arc heating.

• Nuclear Engineering and Technology
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• v.55 no.8
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• pp.2835-2843
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• 2023

After an emergency shutdown of a lead-bismuth fast reactor, thermal stratification occurs in the upper Plenum, which negatively impacts the integrity of the reactor structure and the residual heat removal capacity of natural circulation flow. The research on thermal stratification of reactors has mainly been conducted using an experimental method, a system program, and computational fluid dynamics (CFD). However, the equipment required for the experimental method is expensive, accuracy of the system program is unpredictable, and resources and time required for the CFD approach are extensive. To overcome the defects of thermal stratification analysis, a high-precision full-order thermal stratification model based on CFD technology is prepared in this study. Furthermore, a reduced-order model has been developed by combining proper orthogonal decomposition (POD) with Galerkin projection. A comparative analysis of thermal stratification with the proposed full-order model reveals that the reduced-order thermal stratification model can well simulate the temperature distribution in the upper plenum and rapidly elucidate the thermal stratification interface characteristics during the lead-bismuth fast reactor accident. Overall, this study provides an analytical tool for determining the thermal stratification mechanism and reducing thermal stratification.

• Interaction and multiscale mechanics
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• v.1 no.4
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• pp.397-409
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• 2008

The interfacial thermal resistance of pristine and defective carbon nanotubes (CNTs) embedded in low-density polyethylene matrix is studied in this paper. Interface thermal resistance in nanosystems is one of the most important factors that lead to the large variation in thermal conductivities in literature and the novelty of this paper lies in the estimation of the interfacial thermal resistance for defective nanotubes-systems. Thermal properties of CNT nanostructures are estimated using molecular dynamics (MD) simulations and the simulations were carried out for various temperatures by rescaling the velocities of carbon atoms in the nanotube. This paper also deals with the mesoscale thermal conductivities of composite systems, using effective medium theories by considering the size effect in the form of interfacial thermal resistance and also using the conventional micromechanical methods like Hashin-Shtrikman bounds and Wakashima-Tsukamoto estimates.

• Journal of the Korean Ceramic Society
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• v.53 no.3
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• pp.295-300
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• 2016

To investigate the thermal conductivity and the structural properties of naturally cooled excimer-laser annealed Si, molecular-dynamics (MD) simulations have been performed. The thermal conductivity of crystalline Si (c-Si) was measured by direct method at 1000 K. Steady-state heat flow was measured using a stationary temperature profile; significant deviations from Fourier's law were not observed. Reliable processes for measuring the thermal conductivity of c-Si were presented. A natural cooling process to admit heat flow from molten Si (l-Si) to c-Si was performed using an MD cell with a size of $48.9{\times}48.9{\times}97.8{\AA}^3$. During the cooling process, the temperature of the bottom $10{\AA}$ of the MD cell was controlled at 300 K. The results suggest that the natural cooling system described the static structural property of amorphous Si (a-Si) well.

• The Transactions of The Korean Institute of Electrical Engineers
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• v.60 no.10
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• pp.1838-1845
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• 2011

This paper deals with coupled electromagnetic-thermal field analysis for thermal fluid analysis of oil immersed power transformer. Electric power losses are calculated from electromagnetic field analysis and are used as input source of thermal field analysis based on computational fluid dynamics(CFD). Particularly, In order to accurately predict the temperature rise in oil immersed power transformer, the thermal problem should be coupled with the electromagnetic problem. Moreover, to reduce analysis region, the heat transfer coefficient is applied to boundary surface of the power transformer model. The coupling method results are compared with the experimental values for verifying the validity of the analysis. The predicted temperature rises show good agreements with the experimental values.

• Bulletin of the Korean Chemical Society
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• v.28 no.10
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• pp.1689-1696
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• 2007

Equilibrium molecular dynamics (EMD) simulations are used to evaluate the transport coefficients of argonkrypton mixtures at two liquid states (state A: 94.4 K and 1 atm; state B: 135 K and 39.5 atm) via modified Green-Kubo formulas. The composition dependency of the volume at state A obeys close to the linear model for ideal liquid mixture, while that at state B differs from the linear model probably due to the high pressure. The radial distribution functions for the Ar-Kr mixture (x = 2/3) show a mixing effect: the first peak of g11 is higher than that of g(r) for pure Ar and the first peak of g22 is lower than that of g(r) for pure Kr. An exponential model of engineering correlation for diffusion coefficient (D) and shear viscosity (η) is superior to the simple linear model for ideal liquid mixtures. All three components of thermal conductivity (λpm, λtm, and λti) at state A and hence the total thermal conductivity decrease with the increase of x. At state B, the change in λtm is dominant over those in λpm and λti, and hence the total thermal conductivity decrease with the increase of x.