• Korean Journal of Metals and Materials
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• v.47 no.1
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• pp.32-37
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• 2009

Molecular dynamic simulations on the structural evolution of the Si(001) vicinal surfaces, which are tilted with respect to [100] and [110] directions were performed by using the empirical Tersoff potential. Tersoff potential was implemented at LAMMPS code and confirmed to describe the properties of Si. When the steps are generated along [100] direction, symmetric dimer rows formed with respect to the step edges. On the other hand, when the steps are generated along [110] direction, alternating dimer rows form with respect to the step edges. The configurational differences between the two vicinal surfaces were discussed in terms of the surface diffusion and the possibility of preventing step bunching for the (001) vicinal surface tilted along [100] direction was suggested.

• Prospectives of Industrial Chemistry
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• v.23 no.1
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• pp.42-54
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• 2020

계속적인 충·방전이 가능하여 반영구적으로 사용이 가능한 2차 전지는 친환경 소재로 주목받고 있으며, 노트북 컴퓨터와 휴대전화, 캠코더 등 소형 전자기기뿐만 아니라 전기자동차의 핵심소재이다. 전기자동차 시장의 성장과 더불어 중대형 에너지 저장용 2차 전지 시장의 규모는 더욱 확대되고 있어 관련된 소재의 개발 경쟁과 관심이 날이 갈수록 뜨거워지고 있다. 따라서 소재개발 측면에서 2차 전지 핵심 소재의 물성 발현의 원리 등을 이해하고 최적 소재 설계를 위해서는 원자 레벨에서의 소재 설계 접근법이 필요하다. 따라서 실험적인 연구가 어려운 부분과 원자단위에서의 물질 현상에 대한 이해 그리고 연구 개발의 효율성 증진을 위해서 전산재료과학(computational materials science) 기술이 광범위하게 활용될 수 있다. 본 기고문에서는 리튬이온전지에서의 전극 소재에 대한 전산재료모사의 활용과 연구동향에 대하여 소개하고자 한다.

• Journal of Engineering Education Research
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• v.22 no.6
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• pp.21-27
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• 2019

In the last few years, interest in computer science education has increased significantly. The curriculum is being revised to introduce computer science. Although interest has focused on coding as the main subject, in fact the computer science includes much more than coding. It engages people in being creative with technology as well as understanding the fundamental principles of computer science. Therefore, it is important to consider the curriculum to provide a foundation by teaching and learning computer science. The curriculum is required the development of courses to teach computer science for non-majors in general education. To think like a computer scientist on the knowledge of computer science is computational thinking. In order to maximize the effectiveness of teaching and learning for computational thinking, various teaching methods and supplementary learning materials, and activities should be developed and provided.

• Proceedings of the Korean Vacuum Society Conference
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• 2007.08a
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• pp.143-143
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• 2007

• Proceedings of the Korean Vacuum Society Conference
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• 2012.08a
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• pp.75-75
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• 2012

This presentation will focus on computational materials research carried out across length scales. Examples will be presented that illustrate the way in which state-of-the-art quantum mechanical calculations and atomistic simulations can be applied to explain experimental data, design new structures, determine mechanisms, and enable new investigations. In particular, the presentation will present key findings from an integrated experimental and computational investigation of the tribological properties of polytetrafluoroethylene and its composites and predictions regarding the mechanical and tribological properties of inorganic nanostructured materials.

• Korean Journal of Materials Research
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• v.14 no.7
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• pp.522-528
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• 2004

Heat analysis of the plate type and wave type heat sink were carried out by using computational simulation. The heat resistance and air flow of two heat sink models were analysed according to natural and forced convection condition and positions of fan. When a fan was at the position of z-axis and y-axis in forced convection, the heat resistances of plate type heat sink were $0.17^{\circ}C/W$, and $0.28^{\circ}C/W$ respectively. In the case of wave type heat sink, they were $0.18^{\circ}C/W$ and $0.53^{\circ}C/W$. As the air flow velocities were averagely $0.386\;m/s\~3.269\;m/s$, air flow velocity of plate type heat sink was faster than that of wave type. In this experiment, it was observed that the plate type heat sink showed a good ability of heat radiation comparing with wave type one.

• Korean Journal of Materials Research
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• v.25 no.11
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• pp.622-629
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• 2015

Cu circuits were successfully fabricated on flexible PET(polyethylene terephthalate) substrates using wettability difference and electroless plating without an etching process. The wettability of Cu plating solution on PET was controlled by oxygen plasma treatment and $SiO_x$-DLC(silicon oxide containing diamond like carbon) coating by HMDSO(hexamethyldisiloxane) plasma. With an increase of the height of the nanostructures on the PET surface with the oxygen plasma treatment time, the wettability difference between the hydrophilicity and hydrophobicity increased, which allowed the etchless formation of a Cu pattern with high peel strength by selective Cu plating. When the height of the nanostructure was more than 1400 nm (60 min oxygen plasma treatment), the reduction of the critical impalement pressure with the decreasing density of the nanostructure caused the precipitation of copper in the hydrophobic region.

• Journal of Internet Computing and Services
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• v.21 no.5
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• pp.97-107
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• 2020

This paper introduces an online experiment environment based on a computational science platform that can be used for various purposes ranging from basic education to quantum chemistry and professional quantum chemistry research. The simulation environment was constructed using a simulation workbench and simulation workflow, which are execution environment services of Science App provided by the computational science platform. We developed an environment in which learners can learn independently without an instructor by selecting experiment topics that can be used in various areas of chemistry, and offering the learning materials of the topics in a form of e-learning content that includes theory and simulation exercises. To verify the superiority of the proposed system, it was compared with WebMO, a state-of-the-art web-based quantum chemistry simulation service.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.31 no.4
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• pp.173-181
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• 2018

Recently composite materials have dominated most engineering fields, owing to their better performance, increased durability and flexibility to be customized and designed for a specific required property. This has given them unprecedented superiority over conventional materials. With the help of the ever increasing computational capabilities of computers, researchers have been trying to develop accurate material models for the complex and integrated properties of these composites. This has led to advances in virtual testing of composite materials as a supplement or a possible replacement of laboratory experiments to predict the properties and responses of composite materials and structures. This paper presents a review on the complex multi-scale modelling framework of the virtual testing machines, which involve computational mechanics at various length-scales starting with nano-mechanics and ending in structure level computational mechanics, with a homogenization technique used to link the different length scales. In addition, the paper presents the features of some of the biggest integrated virtual testing machines developed for study of concrete, including a multiscale modeling scheme for the simulation of the constitutive properties of nanocomposites. Finally, the current challenges and future development potentials for virtual test machines are discussed.

• Korean Journal of Materials Research
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• v.14 no.11
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• pp.775-779
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• 2004

For improvement of heat dissipation performance, heat analysis is conducted on the newly designed heat sinks under two convection conditions by using computational fluid dynamics(CFD). Three types of heat sink, plate, wave and top vented wave, are used, and convection conditions are the variations of gravity direction at natural convection and of fan location at forced convection. The results of analysis showed that the heat resistances of top vented wave heat sink were $0.17^{\circ}C$/W(forced convection) and $0.48^{\circ}C$/W(natural convection). In the case of natural convection, gravity direction affected heat flow change, and protection against heat performance was superior in case of z-axis gravity direction. Under the forced convection, all the heat sinks revealed superior thermal characteristics in the fan position of z-axis rather than y-axis. In this study, it was observed that the top vented wave type heat sink showed the best ability of heat radiation comparing with the others.