• 한국전기전자재료학회논문지
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• 제24권6호
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• pp.510-514
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• 2011

Based on first-principles LCAO method, we study the electronic and atomic structures of DNA nucleobases adenine (A), thymine (T), guanine (G), and cytosine (C) adsorbed on graphene surfaces. The ${\pi}-{\pi}$ stacking interactions between graphene and nucleobases lead to the bilayer geometries similar to the Bernal stacked graphite. Through the density of states and charge density analyses, it is found that nucleobases are physisorbed on graphene by dispersive interactions with negligible charge exchange. Our calculations reproduce the atomic structures obtained in previous plane wave calculations accurately with much less computation, and well describe the delocalized ${\pi}-{\pi}$ interactions in graphene-nucleobases system, indicating that the LCAO method is very efficient for investigating graphene-bio systems.

• 반도체디스플레이기술학회지
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• 제9권3호
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• pp.1-4
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• 2010

First-principles calculations based on spin density functional theory are performed to study the spin-resolved electronic properties of AlN doped with a Cu concentration of 6.25%-18.75%. The ferromagnetic state is more energetically favorable state than the antiferromagnetic state or the nonmagnetic state. For $Al_{0.9375}Cu_{0.0625}N$, a global magnetic moment of 1.26 mB per supercell, with a localized magnetic moment of 0.75 $m_B$ per Cu atom is found. The magnetic moment is reduced due to an increase in the number of Cu atoms occupying adjacent cation lattice position. For $Al_{0.8125}Cu_{0.1875}N$, the magnetism of the supercell disappears by the interaction of the neighboring Cu atoms. The nonmagnetic to ferromagnetic phase transition is found to occur at this Cu concentration. The range of concentrations that are spin-polarized should be restricted within very narrow.

• Journal of Magnetics
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• 제20권1호
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• pp.1-7
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• 2015

We investigated the half-metallicity and magnetism at the (001) and (110) surfaces of YC in zinc-blende structure by using the all-electron full-potential linearized augmented plane wave method within the generalized gradient approximation. From the calculated local density of states, we found that neither (001) nor (110) surface preserves the half-metallicity. While the magnetic moment of Y atom in the YC bulk is $0.116{\mu}_B$, it is $0.057{\mu}_B$ at the topmost layer of Y-terminated (001) surface. On the contrary, C-terminated (001) YC surface exhibits stronger magnetism than the bulk structure; the calculated magnetic moment on topmost C atom is $1.084{\mu}_B$, while that of C atom in the bulk structure is $0.423{\mu}_B$. The magnetic properties of the non-polar (110) YC surface are slightly enhanced as compared with the bulk structure.

• Journal of Magnetics
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• 제17권3호
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• pp.163-167
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• 2012

The effects on the ferromagnetism of the O or Zn defect in Cu-doped ZnO with the concentration of 2.77-8.33% have been investigated by the first-principles calculations. The Cu doping in ZnO was calculated to be a kind of p-type ferromagnetic half-metals. When the Zn vacancy exists in Cu-doped ZnO, the Cu magnetic moment increases, while for the O vacancy it is reduced. It is noticeable that the ferromagnetic state was originated from the hybridized O(2p)-Cu(3d)-O(2p) chain formed through the p-d coupling. The carrier-mediated ferromagnetism by nitrogen or fluorine does not depend on their concentration.

• Current Applied Physics
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• 제18권12호
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• pp.1528-1533
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• 2018

The trajectories of adsorption and dissociation process of $O_2$ on the Al (111) surface were studied by the spinpolarized ab initio molecular dynamics method, and the adsorption activation energy was clarified by the NEB method with hybrid functionals. Three typical dissociation trajectories were found through simulation of $O_2$ molecule at different initial positions. When vertically approaches to the Al surface, the $O_2$ molecule tends to rotate, and the activation energy is 0.66eV. If $O_2$ molecule does not rotate, the activation energy will increase to 1.43 eV, and it makes the O atom enter the Al sublayer eventually. When the $O_2$ molecules parallel approach to the Al surface, there is no activation energy, due to the huge energy released during the adsorption process.

• 공업화학전망
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• 제15권3호
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• pp.39-48
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• 2012

현대 컴퓨터산업의 진보는 제일원리 전산법이 여러 연구개발 분야에 널리 사용되는 길을 열었다. 이 논문에서는 제일원리 전산법을 이용한 신 재생에너지의 고성능 나노 소재개발 및 디자인 연구사례를 통해 그 기초 원리와 다양한 응용분야 및 실험과의 효율적인 연계성 등을 소개하고자 한다.

• 정보관리연구
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• 제33권2호
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• pp.1-17
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• 2002

본 연구는 이용자 인터페이스 설계 원칙과 평가방법에 관하여 고찰하고 관련되는 사례를 검토하였다. 제품 개발에 중요한 이용자 인터페이스 설계 원칙으로 1) 이용자와 작업 중심의 설계, 2) 기능성 중심의 설계, 3) 이용자 관점에서 설계, 4) 이용자가 작업 수행을 간단, 명료하게 진행하도록 설계, 5) 배우기 쉬운 인터페이스 설계, 6) 단순 데이터가 아닌 정보를 전달하는 인터페이스 설계, 7) 적절한 피드백을 제공하는 인터페이스 설계, 8) 이용자 테스트를 통한 설계보완 등이 있다. 또한 이 논문은 설계 원칙과 평가방법을 소개하기 위한 기초조사로 인간-컴퓨터 상호작용과 관련된 문제들에 대해서도 기술하였다.

• 동의생리병리학회지
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• 제36권5호
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• pp.147-154
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• 2022

In order to secure practising rapid pattern(證, zheng) differentiation against acute infectious diseases like corona virus disease-19(COVID-19) showing rapid variation and contagion, a simplified classification of stages centering on the exterior-interior pattern identification with 2 step-subdivision by cold, heat, deficiency, excess pattern and pathogens is proposed. Pattern differentiation by compound patterns of 8 principles is made for the non-severe stage of general cold and the early mild stage of epidemic disease. Compound pattern's names of 8 principles about external infectious diseases are composed of three stages, that is disease site-characters-etiology. Based on early stage symptoms of fever or chilling etc., exterior, interior and half exterior and half interior patterns are determined first, and then cold, heat, deficiency, excess patterns of exterior and interior pattern respectively are determined, and then more concrete differentiation on pathogens of wind, dryness, dampness and dearth of qi, blood, yin, yang accompanied with constitutional and personal illness factors. Summarizing above descriptions, 4 patterns of exterior cold, exterior heat, exterior deficiency, exterior excess and their secondary compound patterns of exterior cold deficiency and exterior cold excess and so on are classified together with treatment method and available decoction for a standard measure of eight principle pattern differentiation.

• Educational Technology International
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• 제10권1호
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• pp.1-23
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• 2009

Learners are often posited in a paradoxical situation where they are not fully involved in decision making processes on how to learn, in designing their tools. Cognitive artifacts in e-learning are supposed to effectively support learner-centered e-learning. The purpose of the study is to analyze cases of cognitive artifacts and to inquire those design principles for facilitating the learner-centered e-learning. Four research questions are suggested: First, it will be analyzed the characteristics of learners with respect to design of cognitive artifacts for supporting the learner-centered e-learning. Second, characteristics of four cases to design cognitive artifacts in learner-centered e-learning environment are analyzed. Third, it will be suggested the appropriate design principles of cognitive artifacts to facilitating learner-centered learning in e-learning environment. Four cases of cognitive artifacts design in learner-centered e-learning was identified as follows: Wiki software as cognitive artifacts in computer-supported collaborative learning; 'Play Around Network (PAN)' as cognitive artifact to monitor learning activities in knowledge community; Knowledge Forum System (KFS) as a cognitive artifact in knowledge building; cognitive artifacts in Courses-as-seeds applied meta-design. Five design principles are concluded as follows: Promoting externalization of cognitive artifacts to private media; Helping learners to initiate their learning processes; Encouraging learners to make connections with other learners' knowledge building and their cognitive artifacts; Promoting monitoring of participants' contributions in collaborative knowledge building; Supporting learners to design their cognitive artifacts.

• 건축역사연구
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• 제14권3호
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• pp.103-118
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• 2005

This study is about the meaning of wooden brackets that are distinctive elements of wooden architecture in Korea, Japan, and China. Existing studies about wooden brackets have been limited to the boundary of formalism, so the object of this study is to make a breakthrough in the field of those studies. The Wooden brackets in this study are considered to be decorative elements, and the principles of their design are examined. The specific subject of the study is wooden architecture with Jusimpo-styled brackets that have brackets only on pillars. The definition of Jusimpo is reexamined first, and ChulMok-Ikkong which has not been regarded as a Jusimpo-styled wooden bracket is interpreted as Jusimpo-styled one in this study. Categorized into three types, Jusimpo is examined how it is expressed according to the type of the roof in a building. In view of the results, the wooden bracket system is an effective technique to express the formality, and two designing principles can be seen in Jusimpo; one that wooden brackets observed externally are standardized and regarded as the same ones, and the other that the style of wooden brackets used in the most formal building is Yi-ChulMok. These designing principles mean that the carpenter who was in charge of building the architecture had certain principles when expressing wooden brackets as well as the roofs according to the class of the architecture. In addition, although the styles of wooden brackets that were used in the most formal architecture during the Chosun period were mostly Dapo, Jusimpo in the form of Yi-ChulMok was also adopted in some temples depending on their scale, and that means Jusimpo-styled wooden brackets were never considered to be inferior to Dapo-styled ones. And this point leaves the argument that the reexamination of Jusimpo-styled wooden brackets which have been regarded as the style used in the attached building or small structures since the Choun dynasty should be conducted.