• Tunnel and Underground Space
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• v.29 no.4
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• pp.262-279
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• 2019

In the engineering barriers of high-level radioactive waste disposal, gases could be generated through a number of processes. If the gas production rate exceeds the gas diffusion rate, the pressure of the gas increases and gases could migrate through the bentonite buffer. Because people and the environment can be exposed to radioactivity, it is very important to clarify gas migration in terms of long-term integrity of the engineered barrier system. In particular, it is necessary to identify the hydro-mechanical mechanism for the dilation flow, which is a very important gas flow phenomenon only in medium containing large amounts of clay materials such as bentonite buffer, and to develop and validate new numerical approach for the quantitative evaluation of the gas migration phenomenon. Therefore, in this study, we developed a two-phase flow model considering the mechanical damage model in order to simulate the gas migration in the engineered barrier system, and validated with 1D gas flow modelling through saturated bentonite under constant volume boundary conditions. As a result of numerical analysis, the rapid increase in pore water pressure, stress, and gas outflow could be simulated when the dilation flow was occurred.

• Journal of the Korean Chemical Society
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• v.17 no.5
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• pp.324-331
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• 1973

We study a mixture of ideal gases by use of recently developed methods in continuum thermodynamics of irreversible processes. A complete form of the free energy function and the gas law for each component are derived directly from an entropy production inequality by assuming that: (1) Constitutive functions depend on the mass densities, the diffusion velocities, the temperature and its gradient only. (2) Phenomenological coefficients appearing in an extra entropy flux are material constants. (3) The internal energy density per unit mass is independent of the total mass density (Joule).

• Proceeding of EDISON Challenge
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• 2013.04a
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• pp.179-191
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• 2013

NPT ensemble을 이용하여 Joule-Thomson 반전 곡선 (Joule-Thomson inversion curve, JTIC)를 구하는 기존의 모의실험 방법들과는 달리, 본 연구에서는 NVT 분자동역학 모의실험을 이용하여 JTIC를 구하는 방법을 개발하고, 이 방법을 이용하여 아르곤 기체의 JTIC를 구할 수 있음을 보인다. 본 연구 결과를 실험 및 다른 이론들과 비교, 분석한 결과, 낮은 온도에서의 JTIC는 실험 및 이론 결과와 유사한 반면, 높은 온도에서는 일정 정도의 차이를 나타냄을 알 수 있다. 이 차이는 분자동역학 모의실험에 사용하는 적은 입자 수와 모의실험 시간, 그리고 curve fitting 방법 등에 기인하는 것으로 여겨진다. 또한 본 연구를 통하여 NVT 분자동역학 모의실험 방법만 가능한, EDISON 계산화학 프로그램 중 하나인 "Mixed LJ(12-6) particles MD"가 JTIC를 구하는데 유용하게 사용될 수 있고, 이를 통해 학부생들이 열역학의 기본 개념을 이해하는데 도움을 줄 것으로 기대한다.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2002.04a
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• pp.31-32
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• 2002

임계노즐(critical nozzle)은 유동을 유로 최소단면부에서 초크시켜, 질량유량을 계측하기 위한 일종의 유체기구로, 최근 다양한 분야에서 널리 활용되고 있다. 압축성 기체역학의 관계식에 의하면, 임계노즐을 통하는 기체유동의 이론적인 질량유량은 노즐 목의 직경, 노즐 상류의 온도와 압력 그리고 기체의 비열비 등의 함수로 주어진다 그러나 실제 유동에서는 점성과 열전달 등의 초과로 인하여, 이론적 질량 유량과 실제유량의 비 즉 유출계수(discharge coefficient)의 값은 1.0으로 되지 않는다.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.38 no.1
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• pp.1-11
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• 2010

The definition of the speed of sound is reexamined since it is crucial in the numerical analysis of compressible real gas flows. The thermodynamic speed of sound (TSS), $a_{th}$, and the characteristic speed of sound (CSS), $a_{ch}$, are derived using generalized equation of state (EOS). It is found that the real gas EOS, for which pressure is not linearly dependent on density and temperature, results in slightly different TSS and CSS. in this formalism, Roe's approximate Riemann solver was derived again with corrections for real gases. The results show a little difference when the speeds of sound are applied to the Roe's scheme and Advection Upstream Splitting Method (AUSM) scheme, but a numerical instability is observed for a special case using AUSM scheme. It is considered reasonable to use of CSS for the mathematical consistency of the numerical schemes. The approach is applicable to multi-dimensional problems consistently.

• Tunnel and Underground Space
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• v.30 no.4
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• pp.382-393
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• 2020

The engineered barrier system of high-level radioactive waste disposal must maintain its performance in the long term, because it must play a role in slowing the rate of leakage to the surrounding rock mass even if a radionuclide leak occurs from the canister. In particular, it is very important to clarify gas dilation flow phenomenon clearly, that occurs only in a medium containing a large amount of clay material such as a bentonite buffer, which can affect the long-term performance of the bentonite buffer. Accordingly, DECOVALEX-2019 Task A was conducted to identify the hydraulic-mechanical mechanism for the dilation flow, and to develop and verify a new numerical analysis technique for quantitative evaluation of gas migration phenomena. In this study, based on the conventional two-phase flow and mechanical behavior with effective stresses in the porous medium, the hydraulic-mechanical model was developed considering the concept of damage to simulate the formation of micro-cracks and expansion of the medium and the corresponding change in the hydraulic properties. Model verification and validation were conducted through comparison with the results of 1D and 3D gas injection tests. As a result of the numerical analysis, it was possible to model the sudden increase in pore water pressure, stress, gas inflow and outflow rate due to the dilation flow induced by gas pressure, however, the influence of the hydraulic-mechanical interaction was underestimated. Nevertheless, this study can provide a preliminary model for the dilation flow and a basis for developing an advanced model. It is believed that it can be used not only for analyzing data from laboratory and field tests, but also for long-term performance evaluation of the high-level radioactive waste disposal system.

• Journal of the Korea Computer Graphics Society
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• v.9 no.1
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• pp.1-2
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• 2003

본 논문에서는 액체와 기체가 상호작용 하는 현상들에 대한 새로운 유체 애니메이션 기법을 액체 속 공기방울의 예를 사용하여 제시한다. 기존의 자유표면 시뮬레이션 기법들과는 달리 액체와 기체를 함께 시뮬레이션 할 경우에는 기체의 유동과 액체의 유동을 동시에 다루어야 하며 비중 차에 의한 부력과 경계면에서의 표면장력 등을 추가적으로 고려해야 한다. 유체의 토폴로지 변화를 쉽게 다루면서도 수치적 분산을 막기 위하여 유체 역학 분야의 VOF (Volume of Fluid) 기법과 프론트 추적 (Front-tracking) 기법을 혼합하여 사용하였다. 액체와 기체의 경계면은 마칭 큐브즈 알고리즘을 사용하여 폴리곤으로 복원된 후 버텍스 쉐이더 기술들을 사용하여 액체-기체 경계면의 광학적인 특성을 표현할 수 있었다.

• Membrane Journal
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• v.33 no.6
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• pp.447-453
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• 2023

The performance of computer systems and the development of various computer simulation programs have made it possible to analyze chemical systems composed of more complex elements, and accordingly, research using molecular dynamics simulation is being actively conducted. Research on calculating the gas permeation characteristics of polymer membranes by molecular dynamics, which was previously conducted mainly through experiments, is receiving attention for gas barrier membranes used in food packaging and pharmaceuticals. Recently, there has been a report that a gas barrier effect appears when a coating film is made using silk fibroin, and in this study, a study was conducted using molecular dynamics simulation to confirm whether an oxygen barrier effect appears when a composite film is made using silk fibroin. We built a single model, calculated the gas permeation characteristics, and compared it with the experimental value to confirm that the model reflects the actual experimental results. Actual composite membrane models were then built and the gas movement path within the polymer was analyzed. As a result, oxygen molecules were found that they could not pass through and was blocked in the fibroin region. Therefore, the composite membrane with silk fibroin has excellent oxygen barrier property and is expected to be useful in food packaging, etc.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.30 no.5
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• pp.32-40
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• 2002

The study of nonlinear gas transport in rarefied condition or associated with the microscale length of the geometry has emerged as an interesting topic in recent years. Along with the DSMC method, several fluid dynamic models that come under the general category of the moment method or the Chapman-Enskog method have been used for this type of problem. In the present study, on the basis of Eu's generalized hydrodynamics, computational models for diatomic gases are developed. The rotational nonequilibrium effect is included by introducing excess normal stress associated with the bulk viscosity of the gas. The new models are applied to study the one-dimensional shock structure and the multi-dimensional rarefied hypersonic flow about a blunt body. The results indicate that the bulk viscosity plays a considerable role in fundamental flow problems such as the shock structure and shear flow. An excellent agreement with experiment is observed for the inverse shock density thickness.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• v.y2005m4
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• pp.386-393
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• 2005

The objective of the present study is to develop a new type of the Ballistic range, called 'two-stage light gas gun'. A computational work has been performed to investigate the aerodynamics of a projectile which is launched from the two-stage light gas gun. A moving coordinate method for a multi-domain technique is employed to simulate unsteady projectile flows with a moving boundary. The effect of a virtual mass is added to the axisymmetric unsteady Euler equation systems. The computed results reasonably capture the major flow characteristics which are generated in launching the projectile supersonically, such as the interaction between the shock wave and the blast wave, the interaction between the vortical flow and the barrel shock, and the steady under-expanded jet. The present computational results properly predict the velocity, acceleration, and drag histories of the projectile.