• 한국신재생에너지학회:학술대회논문집
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• 2006.06a
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• pp.9-12
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• 2006

We performed molecular dynamics simulations on the conventional MOF, IRMOF-14 and the catenated MOF with two MOF chains, IRMOF13, to find out rational design and synthetic strategies toward efficient hydrogen storage materials. The molecular dynamics calculations were done using Universal force fields and the analysis of result was performed during the NVE dynamics after preliminary NVT dynamics at 77K. The results showed the density of adsorbed hydrogen molecules was increased in the various pores created by catenation of MOFs while the large amount of volume in conventional MOF was not effectively utilized to store hydrogen. Those calculation results commonly showed the proper control of pore si Be for hydrogen storage into MOF by catenation would be one of the efficient ways to increase hydrogen capacity of MOFs.

• International conference on construction engineering and project management
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• 2013.01a
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• pp.279-286
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• 2013

This paper introduces a new method for identification of building energy performance problems. The presented method is based on automated analysis and visualization of deviations between actual and expected energy performance of the building using EPAR (Energy Performance Augmented Reality) models. For generating EPAR models, during building inspections, energy auditors collect a large number of digital and thermal imagery using a consumer-level single thermal camera that has a built-in digital lens. Based on a pipeline of image-based 3D reconstruction algorithms built on GPU and multi-core CPU architecture, 3D geometrical and thermal point cloud models of the building under inspection are automatically generated and integrated. Then, the resulting actual 3D spatio-thermal model and the expected energy performance model simulated using computational fluid dynamics (CFD) analysis are superimposed within an augmented reality environment. Based on the resulting EPAR models which jointly visualize the actual and expected energy performance of the building under inspection, two new algorithms are introduced for quick and reliable identification of potential performance problems: 1) 3D thermal mesh modeling using k-d trees and nearest neighbor searching to automate calculation of temperature deviations; and 2) automated visualization of performance deviations using a metaphor based on traffic light colors. The proposed EPAR v2.0 modeling method is validated on several interior locations of a residential building and an instructional facility. Our empirical observations show that the automated energy performance analysis using EPAR models enables performance deviations to be rapidly and accurately identified. The visualization of performance deviations in 3D enables auditors to easily identify potential building performance problems. Rather than manually analyzing thermal imagery, auditors can focus on other important tasks such as evaluating possible remedial alternatives.

• Proceedings of the Korean Vacuum Society Conference
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• 2015.08a
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• pp.191.2-191.2
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• 2015

Details of carrier dynamics in self-assembled quantum dots (QDs) with a particular attention to nonradiative processes are not only interesting for fundamental physics, but it is also relevant to performance of optoelectronic devices and the exploitation of nanocrystals in practical applications. In general, the possible processes in such systems can be considered as radiative relaxation, carrier transfer between dots of different dimensions, Auger nonradiactive scattering, thermal escape from the dot, and trapping in surface and/or defects states. Authors of recent studies have proposed a mechanism for the carrier dynamics of time-resolved photoluminescence CdTe (a type II-VI QDs) systems. This mechanism involves the activation of phonons mediated by electron-phonon interactions. Confinement of both electrons and holes is strongly dependent on the thermal escape process, which can include multi-longitudinal optical phonon absorption resulting from carriers trapped in QD surface defects. Furthermore, the discrete quantized energies in the QD density of states (1S, 2S, 1P, etc.) arise mainly from ${\delta}$-functions in the QDs, which are related to different orbitals. Multiple discrete transitions between well separated energy states may play a critical role in carrier dynamics at low temperature when the thermal escape processes is not available. The decay time in QD structures slightly increases with temperature due to the redistribution of the QDs into discrete levels. Among II-VI QDs, wide-gap CdZnTe QD structures characterized by large excitonic binding energies are of great interest because of their potential use in optoelectronic devices that operate in the green spectral range. Furthermore, CdZnTe layers have emerged as excellent candidates for possible fabrication of ferroelectric non-volatile flash memory. In this study, we investigated the optical properties of CdZnTe/ZnTe QDs on Si substrate grown using molecular beam epitaxy. Time-resolved and temperature-dependent PL measurements were carried out in order to investigate the temperature-dependent carrier dynamics and the activation energy of CdZnTe/ZnTe QDs on Si substrate.

• Bulletin of the Korean Chemical Society
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• v.31 no.9
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• pp.2581-2587
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• 2010

Nitration of tyrosine and tryptophan residues is common in cells under nitrative stress. However, physiological consequences of protein nitration are not well characterized on a molecular level due to limited availability of the 3D structures of nitrated proteins. Molecular dynamics (MD) simulation can be an alternative tool to probe the structural perturbations induced by nitration. In this study we developed molecular mechanics parameters for 3-nitrotyrosine (NIY) and 6-nitrotryptophan (NIW) that are compatible with the AMBER-99 force field. Partial atomic charges were derived by using a multi-conformational restrained electrostatic potential (RESP) methodology that included the geometry optimized structures of both $\alpha$- and $\beta$-conformers of a capped tripeptide ACE-NIY-NME or ACE-NIW-NME. Force constants for bonds and angles were adopted from the generalized AMBER force field. Torsional force constants for the proper dihedral C-C-N-O and improper dihedral C-O-N-O of the nitro group in NIY were determined by fitting the torsional energy profiles obtained from quantum mechanical (QM) geometry optimization with those from molecular mechanical (MM) energy minimization. Force field parameters obtained for NIY were transferable to NIW so that they reproduced the QM torsional energy profiles of ACE-NIW-NME accurately. Moreover, the QM optimized structures of the tripeptides containing NIY and NIW were almost identical to the corresponding structures obtained from MM energy minimization, attesting the validity of the current parameter set. Molecular dynamics simulations of thioredoxin nitrated at the single tyrosine and tryptophan yielded well-behaved trajectories suggesting that the parameters are suitable for molecular dynamics simulations of a nitrated protein.

• Journal of the Korea Society of Computer and Information
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• v.28 no.9
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• pp.73-79
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• 2023

This paper describes a level of detail (LOD) based bending spring structure and damping technique that can reliably represent strain-based dynamics (SBD) on a triangular mesh. SBD models elastic energy using strain instead of energy based on the edge length of a triangular mesh. However, when a large external force occurs, the process of calculating the elastic energy based on edges results in a degenerate triangle, which stretches in the wrong direction because it calculates an unstable strain. In this paper, we introduce an LOD-based bending spring generation and energy calculation method that can efficiently handle this problem. As a result, the technique proposed in this paper can reliably and efficiently handle SBD based on bending springs, which can provide a stable representation of cloth simulation.

• Journal of the Korean Society for Geothermal and Hydrothermal Energy
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• v.3 no.1
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• pp.11-16
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• 2007

The purpose of this study is to use the CFD(Computational Fluid Dynamics) method for the ground source heat pump(GSHP) system with vertical U-tube ground heat exchangers. In order to predict LWT(leaving water temperature) in the length of time, This simulation is used by utilizing FLUENT which is commercial CFD code. It was performed by based on four boreholes in the field. Comparing with the results of CFD and field measurement for LWT, the results of CFD was presented very good agreement with 1.0% average difference.

• Environmental Engineering Research
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• v.21 no.4
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• pp.355-364
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• 2016

Beijing, as a cradle of modern industry and the third largest metropolitan area in China, faces more responsibilities to adjust industrial structure and mitigate carbon emissions. The purpose of this study is aimed at predicting and comparing industrial carbon emissions of Beijing in ten scenarios under different policy focus, and then providing emission-cutting recommendations. In views of various scenarios issues, system dynamics has been applied to predict and simulate. To begin with, the model has been established following the step of causal loop diagram and stock flow diagram. This paper decomposes scenarios factors into energy structure, high energy consumption enterprises and growth rate of industrial output. The prediction and scenario simulation results shows that energy structure, carbon intensity and heavy energy consumption enterprises are key factors, and multiple factors has more significant impact on industrial carbon emissions. Hence, some recommendations about low-carbon mode of Beijing industrial carbon emission have been proposed according to simulation results.

• Journal of Ocean Engineering and Technology
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• v.36 no.4
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• pp.280-294
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• 2022

This study reviews the recent development and research results of a fixed oscillating water column (OWC) wave energy converter (WEC). The OWC WEC can be divided into fixed and floating types based on the installation location and movement of the structure. In this article, the study on a stationary OWC WEC, which is close to commercialization through the accumulation of long-term research achievements, is divided into five research categories with a focus on primary energy conversion research. These research categories include potential-flow-based numerical analysis, wave tank experiments, computational fluid dynamics analyses toward investigation of fluid viscous effects, U-shaped OWC studies that can amplify water surface displacement in the OWC chamber, and studies on OWC prototypes that have been installed and operated in real sea environments. This review will provide an overview of recent research on the stationary OWC WEC and basic information for further detailed studies on the OWC.

• Proceedings of the IEEK Conference
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• 2000.06b
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• pp.306-309
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• 2000

In this work, we investigated A1 cluster deposition on Al (100) surface using molecular dynamics simulation. A result of simulations showed that large cluster with low energy was proper for good surfaced-films without craters at the low temperatures. We investigated the maximum substrate temperature and the time taken for substrate temperature to reach its maximum as a function of cluster size in the case of the same total energy and in the case of the same energy Per atom. The correlated collisions play an important role in interaction between energetic cluster and surface, and as cluster size and cluster energy increases, the correlated collisions effect affects interaction between energetic cluster and surface.

• Journal of Environmental Science International
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• v.26 no.10
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• pp.1185-1200
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• 2017

Solid waste management is currently a topic of concern, particularly in the protection of humans and the environment from toxic pollutants and hazardous materials. The importance of solid waste management is recognized at international, national, and community levels. Different agendas have been prioritized and assigned to improve quality of life, productivity, and health, and reduce the burden of pollution. Suitable management of solid waste requires appropriate technology that is affordable, socially accepted, and environmentally friendly. The use of a smart management system involving system dynamics can save energy, money, and labor. System dynamics is a computer-based approach that aids in predicting the behavioral patterns of variables, and correlating dependent and independent variables. The inclusion of system dynamics-based models in solid waste management has recently become more common. In this review, we used system dynamics to determine methods to disentangle solid waste management systems and analyzed different studies on solid waste management using system dynamics in different countries in detail. We also discussed the various software packages that are available for system dynamics and their usefulness for waste management. This review may help in understanding current solid waste management practices using system dynamics.