• 통합자연과학논문집
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• 제16권1호
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• pp.39-45
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• 2023

P2X receptors are ATP-activated ion channels in the plasma membrane. P2X receptors have a role in a diverse range of disorders, making them a valuable therapeutic target. Hence, the present investigation employed homology modelling of the P2X receptor based on the crystal structure of 5SVJ, 6AH4, 5YVE and 5SVL. Twenty models, using both single- and multiple template-based methods, were developed, and the best model was chosen based on the validation result. We observed that a strategy based on multiple templates provided greater accuracy. Future studies involving binding site and docking analysis can make use of the produced structures.

• Computers and Concrete
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• 제10권3호
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• pp.307-330
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• 2012

This work intends to contribute for the improvement of the procedure suggested by Brazilian Technical Code that takes into account the cracked concrete stiffness in the estimative of the displacement of reinforced concrete beams submitted to service loads. A damage constitutive model accounting for induced anisotropy, plastic deformations and bimodular elastic response is used in order to simulate the concrete behaviour, while an elastoplastic behaviour is admitted for the reinforcement. The constitutive models were implemented in a program for bars structures analysis with layered finite elements. Initially, the damage model is briefly presented as well as the parametric identification of the materials that have been used in the reinforced concrete beams. After that, beams with different geometries and reinforcement area are analyzed and a statistical method (ANOVA) is employed in order to identify the main variables in the problem. Soon after, the same procedure is used with another resistance of concrete, where the compression strength is changed. The numerical responses are compared with the ones obtained by Brazilian Technical Code and experimental tests in order to validate the use of the damage model. Finally, some remarks are discussed based on responses presented in this work.

• Nuclear Engineering and Technology
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• 제54권8호
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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.

• 한국항해항만학회:학술대회논문집
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• 한국항해항만학회 2003년도 춘계공동학술대회논문집
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• pp.171-178
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• 2003

해양에 기름이 유출되면 방제작업의 초기단계에서 기름의 이동 및 확산을 차단하기 위하여 오일 붐을 사용하는 것이 일반적이다. 그러나 오일 붐은 유속, 기름의 밀도와 점성, 수심, 기름의 양, 그리고 붐 홀수의 길이 등과 같은 여러 인자들에 의해 그 포획능력이 영향을 받는다. 본 연구에서는 이들 누유인자가 오일 붐의 포획과정에서 어떠한 영향을 미치는지를 체계적으로 파악하기 위하여 컴퓨터 모델링을 수행하였다. 모델링을 위하여 CFD(computational fluid dynamics) 프로그램 중에서 가장 널리 알려진 Fluent를 이용하였으며 기존의 실험자료와 비교함으로써 모델링 결과를 검증하였다. 본 연구의 결과는 방제작업 책임자와 오일 붐 설계자에게 유용한 참고자료가 될 것으로 기대된다.

• 에너지공학
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• 제20권4호
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• pp.278-285
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• 2011

본 연구에서는 리튬이온 전지의 충 방전 특성에 관한 모델링과 전산모사를 수행하였다. 전지의 시스템 구성은 단순화된 2차원 형태의 단일셀에 대하여 모델링하였고, 공학적 편미분방정식 풀이자인 FEMLAB을 이용하여 288 K와 318 K 범위내에서 충방전 특성에 대한 열적 모델링을 수행하였다. 모델링에 채택한 물성치 변수들에 대하여 온도특성을 고려하였으며, 이를 통하여 전지의 특징적인 충방전의 사이클 변화와 충방전 전하량의 변화를 체계적으로 전산모사하였다. 그 결과 충방전 속도에 상관없이 충방전의 주기가 온도가 낮아질수록 짧아짐을 정량적으로 해석할 수 있었다. 이에 부가하여 전지내에서 리튬이온의 물질전달 현상을 해석하여, 전지의 충방전 특성과의 상관관계를 고찰하였다.

• 한국전산유체공학회:학술대회논문집
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• 한국전산유체공학회 2008년도 12th Asian Congress of Fluid Mechanics
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• pp.46.1-46.1
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• 2008

• Advances in Computational Design
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• 제8권2호
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• pp.179-190
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• 2023

In this paper, building information modelling (BIM) associated to the principle of significant items emerged at quantities and costs in the optimization of productivity related to the rehabilitation of the building where proposed and discussed. A quantitative and qualitative study related to the field of application based on some parameters such as pathology diagnosis, projects documents and bills of quantities were used for model development at the preliminary stage of this work. The study identified 14 quantities significant items specified to cost value based on the use of the 80/20 Pareto rule, through the integration of building information modelling (BIM) in the optimisation of labour productivity for rehabilitation of buildings. The results of this study reveal the reliability and the improvement of labour productivity using building information modelling process integrating quantities and cost significant items.

• Structural Engineering and Mechanics
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• 제62권5호
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• pp.643-649
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• 2017

Masonry walls are amongst the oldest building systems. A large portion of the research on these structures focuses on the load-bearing walls. Numerical methods have been generally used in modelling load-bearing walls during recent years. In this context, macro and micro modelling techniques emerge as widely accepted techniques. Micro modelling is used to investigate the local behaviour of load-bearing walls in detail whereas macro modelling is used to investigate the general behaviour of masonry buildings. The main objective of this study is to investigate the elastic behaviour of the load- bearing walls in masonry buildings by using micro modelling technique. In order to do this the brick and mortar units of the masonry walls are modelled by the combination of plane truss elements and plane frame elements with no shear deformations. The model used in this study has fewer unknowns then the models encountered in the references. In this study the vertical frame elements have equivalent elasticity modulus and moment of inertia which are calculated by the developed software. Under in-plane static loads the elastic displacements of the masonry walls, which are encountered in literature, are calculated by the developed software, where brick units are modelled by plane frame elements, horizontal joints are modelled by vertical frame elements and vertical joints are modelled by horizontal plane truss elements. The calculated results are compatible with those given in the references.

• Advances in Computational Design
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• 제7권3호
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• pp.173-188
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• 2022

In modern buildings, glass is considered a structurally unsafe material due to its brittleness and unpredictable failure behavior. The possible use of structural glass elements (i.e., floors, beams and columns) is generally prevented by its poor tensile strength and a frequent occurrence of brittle failures. In this study an innovative modelling based on an equivalent thickness concept of laminated glass beam reinforced with FRP (Fiber Reinforced Polymer) composite material and of glass plates punched is presented. In particular, the novel numerical modelling applied to an embedding Carbon FRP-rod in the interlayer of a laminated structural glass beam is considered in order to increase both its failure strength, together with its post-failure strength and ductility. The proposed equivalent modelling of different specimens enables us to carefully evaluate the effects of this reinforcement. Both the responses of the reinforced beam and un-reinforced one are evaluated, and the corresponding results are compared and discussed. A novel equivalent modelling for reinforced glass beams using FRP composites is presented for FEM analyses in modern material components and proved estimations of the expected performance are provided. Moreover, the new suggested numerical analysis is also applied to laminated glass plates with wide holes at both ends for the technological reasons necessary to connect a glass beam to a structure. Obtained results are compared with an integer specimen. Experimental considerations are reported.

• The Plant Pathology Journal
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• 제33권6호
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• pp.529-542
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• 2017

Control of plant diseases is largely dependent on use of agrochemicals. However, there are widening gaps between our knowledge on plant diseases gained from genetic/mechanistic studies and rapid translation of the knowledge into target-oriented development of effective agrochemicals. Here we propose that the time is ripe for computer-aided drug discovery/design (CADD) in molecular plant pathology. CADD has played a pivotal role in development of medically important molecules over the last three decades. Now, explosive increase in information on genome sequences and three dimensional structures of biological molecules, in combination with advances in computational and informational technologies, opens up exciting possibilities for application of CADD in discovery and development of agrochemicals. In this review, we outline two categories of the drug discovery strategies: structure- and ligand-based CADD, and relevant computational approaches that are being employed in modern drug discovery. In order to help readers to dive into CADD, we explain concepts of homology modelling, molecular docking, virtual screening, and de novo ligand design in structure-based CADD, and pharmacophore modelling, ligand-based virtual screening, quantitative structure activity relationship modelling and de novo ligand design for ligand-based CADD. We also provide the important resources available to carry out CADD. Finally, we present a case study showing how CADD approach can be implemented in reality for identification of potent chemical compounds against the important plant pathogens, Pseudomonas syringae and Colletotrichum gloeosporioides.