• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 2004년도 추계학술대회 논문집
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• pp.774-777
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• 2004

A rheology casting technology has some advantages compared with conventional forming processes such as die casting, squeeze casting and hot/cold forming. The liquid segregation is important on mechanical properties of materials using rheology casting. In this study, so, molecular dynamics simulations were performed for the control of liquid segregation. Because the dynamics of fluid flow about nano-scaled materials is completely different from continuum, molecular dynamics simulations were used. The behavior of particles was far from the truth according to boundary conditions in simple flow. But various movement of particles appear at two or more molecular simulations.

• EDISON SW 활용 경진대회 논문집
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• 제4회(2015년)
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• pp.70-75
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• 2015

Fasciclin 1 (FAS1) is an extracellular protein whose aggregation in cornea leads to visual impairment. While a number of FAS1 mutants have been studied that exhibit enhanced/decreased aggregation propensity, no structural information has been provided so far that is associated with distinct aggregation potential. In this study, we have investigated the structural and thermodynamic characteristics of the wild-type FAS1 and its two mutants, R555Q and R555W, by using molecular dynamics simulations and three-dimensional reference interaction site model (3D-RISM) theory. We find that the hydrophobic solvent accessible surface area increases due to hydrophobic core repacking in the C-terminus caused by the mutation. We also find that the solvation free energy of the mutants increases due to the enhanced non-native H-bonding. These structural and thermodynamic changes upon mutation contribute to understand the aggregation of these mutants.

• Journal of Ship and Ocean Technology
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• 제4권2호
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• pp.24-37
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• 2000

The purpose of this paper is to study the upstream waves in front of an advancing arbitrary hull shape in a restricted water channel. Conventionally, in a restricted water channel, shallow water effects are amplified because of the finite water depth and width. When the effects of shallow water and the restricted channel width are severe, upstream waves propagate forward from the fore-body of the advancing hull. In this study, numerical simulations are carried out for the relevant analysis of the flow phenomena by the draft variation of advancing hull in a restricted water channel. Numerical simulations are done with a finite-difference method based on the MAC scheme in a rectangular grid system.

• Bulletin of the Korean Chemical Society
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• 제29권4호
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• pp.741-748
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• 2008

We have studied the folding mechanism of $\beta$ -hairpins in the proteins 1GB1, 3AIT and 1A2P by conducting unfolding simulations at moderately high temperatures. The analysis of trajectories obtained from molecular dynamics simulations in explicit aqueous solution suggests that the positions of the hydrophobic core residues lead to subtle differences in the details of folding dynamics. However, the folding of three different hairpins can be explained by a unified mechanism that is a blend of the hydrogen-bond-centric and the hydrophobiccentric models. The initial stage of $\beta$-hairpin folding involves various partially folded intermediate structures which are stabilized by both the van der Waals interactions of hydrophobic core residues and the electrostatic interactions of non-native hydrogen bonds. The native structure is obtained by forming native contacts in the final tune-up process. Depending on the relative positions of the hydrophobic residues, the actual mechanism of hairpi n folding may or may not exhibit well-defined intermediates.

• 소성∙가공
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• 제24권1호
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• pp.13-19
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• 2015

For an accurate analysis of hot stamping, a coupled simulation with different aspects of the process(i.e. mechanical, thermal, and phase transformation) is needed. However, coupled simulations are time consuming and costly. Therefore, the current study proposes a simplified method focused on the forming for the hot stamping simulation of a coupled torsion beam axle (CTBA) tubular beam. In this simplified method, non-isothermal conditions were assumed and only conduction was considered, since it represents the majority of the heat transfer during hot stamping. In addition, temperature and strain rate effects were also included. Moreover, an isothermal simulation was conducted and compared with a non-isothermal simulation. Finally, the simulations were verified by experiments. In conclusion, the proposed method is shown to be effective for the development of tube-type parts, and it effectively predicts the deformation of the tubular beam during hot stamping.

• Journal of Power Electronics
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• 제11권6호
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• pp.890-896
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• 2011

In this paper the impact of a SSSC and a STATCOM on the impedance calculated by a distance relay is investigated. Both analytical analysis and simulations are provided. The STATCOM/SSSC control systems are modeled in detail. It is demonstrated that a SSSC has a greater impact on the calculated impedance by an A-G distance relay element. Several scenarios are considered in the simulations like the impact of the fault conditions, the compensator settings, the power system conditions and so on. All the simulations are carried out in MATLAB/Simulink with detailed models of the SSSC and the STATCOM.

• Journal of Electrical Engineering and Technology
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• 제5권1호
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• pp.61-69
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• 2010

This paper presents a study of a DFIG wind power generation system for real-time simulations. For real-time simulations, the Real-Time Digital Simulator (RTDS) and its user friendly interface simulation software RSCAD are used. A 2.2MW grid-connected variable speed DFIG wind power generation system is modeled and analyzed in this study. The stator-flux oriented vector control scheme is applied to the stator/rotor side converter control, and the back-to-back PWM converters are implemented for the decoupled control. The real-wind speed signal extracted by an anemometer is used for a realistic, reliable and accurate simulation analysis. Block diagrams, a mathematical presentation of the DFIG and a control scheme of the stator/rotor-side are introduced. Real-time simulation cases are carried out and analyzed for the validity of this work.

• Bulletin of the Korean Chemical Society
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• 제16권12호
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• pp.1153-1162
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• 1995

The conformational details of β-lactose are investigated through molecular dynamics simulations in conjunction with the adiabatic potential energy map. The adiabatic energy map generated in vacuo contains five local minima. The lowest energy structure on the map does not correspond to the structure determined experimentally by NMR and the X-ray crystallography. When aqueous solvent effect is incorporated into the energy map calculation by increasing the dielectric constant, one of the local minima in the vacuum energy map becomes the global minimum in the resultant energy map. The lowest energy structure of the energy map generated in aquo is consistent with the one experimentally determined. Molecular dynamics simulations starting from those fivelocal minima on the vacuum energy map reveal that conformational transitions can take place among various conformations. Molecular dynamics simulations of the lactose and ricin B chain complex system in a stochastic boundary indicate that the most stable conformation in solution phase is bound to the binding site and that there are conformational changes in the exocyclic region of the lactose molecule upon binding.

• ETRI Journal
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• 제44권2호
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• pp.313-326
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• 2022

This study presents a noble scheme for distributed and parallel simulations with optimized agent placement for simulation instances. The traditional parallel simulation has some limitations in that it does not provide sufficient performance even though using multiple resources. The main reason for this discrepancy is that supporting parallelism inevitably requires additional costs in addition to the base simulation cost. We present a comprehensive study of parallel simulation architectures, execution flows, and characteristics. Then, we identify critical challenges for optimizing large simulations for parallel instances. Based on our cost-benefit analysis, we propose a novel approach to overcome the performance constraints of agent-based parallel simulations. We also propose a solution for eliminating the synchronizing cost among local instances. Our method ensures balanced performance through optimal deployment of agents to local instances and an adaptive agent placement scheme according to the simulation load. Additionally, our empirical evaluation reveals that the proposed model achieves better performance than conventional methods under several conditions.

• 국제학술발표논문집
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• The 5th International Conference on Construction Engineering and Project Management
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• pp.122-128
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• 2013

Computer simulations designed to predict technical and financial returns of wind turbine installations are used to make informed investment decisions. These simulations used fixed values to represent real-world variables, while the actual projects can be highly uncertain, resulting in predictions that are less accurate and less useful. In this article, by modifying a popular wind power simulation sourced from the American Wind Energy Association to use Monte Carlo techniques in its calculations, the authors have proposed a way to improve simulation usability by producing probability distributions of likely outcomes, which can be used to draw broader, more useful conclusions about the simulated project.