• Journal of the Korea Society for Simulation
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• v.10 no.3
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• pp.47-58
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• 2001

Evaluation of Freeway Congestion Management Using Mesoscopic Traffic Simulator A mesoscopic simulation study to measure the effects of trip generation caused by rampant expansion of residential area around the Kyungbu corridor has been conducted. Some alternatives, which seem to be judgememtally plausible and technically feasible to mitigate such congestion, have been carefully examined and evaluated by the simulation model called INTEGRATION. Alternatives are mostly network improvements. Banpo IC dedicated ramp construction (A1), Seocho IC TSM based weaving elimination (A2), dedicated local and express separation over Seocho-Yangjae segment (A3), Heonleung IC (A4) and Daewang If installations (A5), Pangyo IC improvement (A6), Baikhyun IC (A7) and Dongbaek IC installations (A8) along with Shingal-Pangyo segment capacity addition (A9). The most capital intensive ones are A9, A5, and A4 in that order. A1, A6, A7, and A8 are short in distance but they are also capital intensive and need some construction periods. The least capital driven alternatives are h2 and A3, the h2 is easier to do, but A3 needs traffic diversion scheme during construction. The A1, A7, and A8 have been identified cost effective in terms of speed increase and travel time saving. Along with these results, some limitations and future research agenda regarding simulation have also been presented.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.771-776
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• 2003

The structural and dynamic properties of small n-alkane clusters embedded in a mesoscopic solvent are investigated. The solvent interactions are taken into account through a multi-particle collision operator that conserves mass, momentum and energy and the solvent dynamics is updated at discrete time intervals. The cluster molecules interact among themselves and with the solvent molecules through intermolecular forces. The properties of n-heptane and n-decane clusters interacting with the mesoscopic solvent molecules through repulsive Lennard-Jones interactions are studied as a function of the number of the mesoscopic solvent molecules. Modifications of both the cluster and solvent structure as a result of cluster-solvent interactions are considered. The cluster-solvent interactions also affect the dynamics of the small n-alkane clusters.

• Bulletin of the Korean Chemical Society
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• v.34 no.2
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• pp.574-578
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• 2013

In this work, the friction and diffusion coefficients of a tracer in a mesoscopic solvent are evaluated as a function of the tracer size by a hybrid molecular dynamics simulation where solute molecules evolve by Newton's equations of motion but the solvent evolves through the multi-particle collision dynamics. The friction coefficient is shown to scale linearly with the tracer size for larger tracers in accord with predictions of hydrodynamic theories. The diffusion coefficient of tracer is found to be inversely proportional to tracer size. The behavior of Stokes-Einstein formula is validated as a function of tracer size.

• Computers and Concrete
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• v.21 no.4
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• pp.471-484
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• 2018

Refined analysis depicting mass transportation and physicochemical reaction and reasonable computing load with acceptable DOFs are the two major challenges of numerical simulation for concrete durability. Mesoscopic numerical simulation for chloride diffusion considering binder, aggregate and interfacial transition zone is unable to be expended to the full structure due to huge number of DOFs. In this paper, a multiscale approach of combining both mesoscopic model including full-graded aggregate and equivalent macroscopic model was introduced. An equivalent conversion of chloride content at the Interfacial Transition Layer (ITL) connecting both models was considered. Feasibility and relative error were discussed by analytical deduction and numerical simulation. Case study clearly showed that larger analysis model in multiscale model expanded the diffusion space of chloride ion and decreased chloride content in front of rebar. Difference for single-scale simulation and multiscale approach was observed. Finally, this paper addressed some worth-noting conclusions about the chloride distribution and rebar corrosion regarding the configuration of rebar placement, rebar diameter, concrete cover and exposure period.

• Computers and Concrete
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• v.23 no.1
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• pp.69-80
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• 2019

Modeling approach for mesoscopic model of concrete depicting mass transportation and physicochemical reaction is important since there is growing demand for accuracy and computational efficiency of numerical simulation. Mesoscopic numerical simulation considering binder, aggregate and Interfacial Transition Zone (ITZ) generally produces huge number of DOFs, which is inapplicable for full structure. In this paper, a three-dimensional multiscale approach describing three-phase structure of concrete was discussed numerically. An effective approach generating random aggregate in polygon based on checking centroid distance was introduced. Moreover, ITZ elements were built by parallel expanding the surface of aggregates on inner side. By combining mesoscopic model including full-graded aggregate and macroscopic model, cases related to diffusivity and thickness of ITZ, volume fraction and grade of aggregate were studied regarding the consideration of multiscale compensation. Results clearly showed that larger analysis model in multiscale model expanded the diffusion space of chloride ion and decreased chloride content in front of rebar. Finally, this paper addressed some worth-noting conclusions about the chloride distribution and rebar corrosion regarding the configuration of, rebar diameter, concrete cover and exposure period.

• The KIPS Transactions:PartD
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• v.12D no.6 s.102
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• pp.921-930
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• 2005

In this paper, a general purpose molecular simulation system which has been developed by the author, are described. One of the most advantageous features is that the molecular simulation system can handle a coarse-grained model as well as an all-atom mode. Therefore, we can simulate mesoscopic phenomena as well as microscopic phenomena with the help of Langevin dynamics simulation and dissipative particle dynamics simulation techniques. Thus we could study anesthesia, protein folding, biopolymer flow in microchannel with single framework, which spans from microscopic to mesoscopic scales. We expect that we can also simulate many other bio/nano systems of technological importance which are not feasible by means of molecular dynamics simulation technique. Finally, performance data are shown and a bottleneck is identified for future optimization.

• Interaction and multiscale mechanics
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• v.3 no.1
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• pp.23-37
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• 2010

Concrete is a heterogeneous material consisting of coarse aggregate, mortar matrix and interfacial zones at the meso level. Though studies have been done to interpret the fracture process in concrete using meso level models, not much work has been done for simulating the macroscopic behaviour of reinforced concrete structures using the meso level models. This paper presents a procedure for the mesoscopic analysis of reinforced concrete beams using a modified micro truss model. The micro truss model is derived based on the framework method and uses the lattice meshes for representing the coarse aggregate (CA), mortar matrix, interfacial zones and reinforcement bars. A simple procedure for generating a random aggregate structure is developed using the constitutive model at meso level. The study reveals the potential of the mesoscopic numerical simulation using a modified micro truss model to predict the nonlinear response of reinforced concrete structures. The modified micro truss model correctly predicts the load-deflection behaviour, crack pattern and ultimate load of reinforced concrete beams failing under different failure modes.

• Proceedings of the Korea Society for Simulation Conference
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• 2001.05a
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• pp.113-118
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• 2001

교통혼잡의 묘사를 보다 구체적으로 하기 위한 Mesoscopic시뮬레이션 모형으로서 INTEGRATION을 소개한다. 모형의 기본구조가 설명되고, 특히 응용사례로서 경부고속도로 축을 중심으로 한 주거지역의 급속한 팽창으로 야기된 고속도로상의 교통대안을 평가하려는데 초점을 맞추고 있다. 교통대안은 혼잡을 완화시키는데 타당하고 기술적으로도 실현가능한 대안이 제시된다. 이러한 대안들은 거시 및 미시 모의실험모형을 통해 면밀히 분석 평가되며 또한 대안을 도출하고 평가하는 과정의 제시로서 교통량조사에 근거한 OD 도출, Subarea 네트워크 분석 및 통합된 네트워크 모의실험과 같은 새로운 기법들이 아울러 제시된다. 대안의 대부분은 네트워크 개선에 관련한 것이다. 반포 IC 진출입로 공사(Al), 위빙 제거를 기초로 한 서초 IC TSM(A2), 서초-양재 구간의 고속 저속 분리(A3), 헌릉 IC(A4)의 신설, 판교 JC 개선(A5), 백현 IC(A6)신설. 가장 자본 집약적인 대안은 A4, A6순이다. A1, A5, A6은 구간은 짧으나, 자본 집약적이며 어느 정도의 공사 기간이 소요된다. 가장 비용이 적게 소요되는 대안은 A2, A3이다. A2는 시행이 용이하나, A3의 경우 공사기간 중 교통분산 대책이 필요하다. A1, A6은 속도증가와 통행시간 절감의 측면에서 가장 비용대비 효율적인 것으로 분석되었다. 시뮬레이션의 한계 및 개선방안이 함께 검토되었다.

• Proceedings of the Materials Research Society of Korea Conference
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• 2001.05a
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• pp.48-48
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• 2001

• Polymer(Korea)
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• v.30 no.6
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• pp.453-463
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• 2006

Molecular simulation is an exceptionally useful method for predicting self-assembled structures in various macromolecular systems, enlightening the origins of many interesting molecular events such as protein folding, polymer micellization, and ordering of molten block copolymer. The length scales of those events ranges widely from sub-nanometer scale to micron-scale or to even larger, which is the main obstacle to simulate all the events in an ab initio principle. In order to detour this major obstacle in the molecular simulation approach, a molecular model can be rebuilt by sacrificing some unimportant molecular details, based on two different perspectives with respect to the resolution of model. These two perspectives are generally referred to as 'atomistic' and 'mesoscopit'. This paper reviews various simulation methods for macromolecular self-assembly in both atomistic and mesoscopic perspectives.