• Journal of the Korean Magnetics Society
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• v.2 no.3
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• pp.193-199
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• 1992

희토류 영구자석, $Nd_2Fe_{14}B$ 화합물에 대한 자체충족적 국재밀도함수근사 전자 구조 계산을 수행하여 이 물질의 전자기적 물성을 연구하였다. LMTO(Linearized Muffin-Tin Orbital)에너지 띠 방법을 사용하여 상자성, 강자성상에서 구한 $Nd_2Fe_{14}B$ 화합물의 에너지 띠구조를 토대로 하여 자성을 포함한 제반 물성, 즉 희토류금속과 천이금속의 결합(bonding)효과, 전기적, 자기적 구조등을 고찰하였다. Boron 원자의 역학은 근접 Fe 원자와의 혼합 상호작용을 통하여 Fe의 원자의 자기모멘트를 많이 줄이는 효과를 주며 또한 구조 안정성에 기여한다는 결과를 얻었다. 강자성상에서의 Fe 원자들의 평균 자기모멘트는 약 2.15 ${\mu}B$로 계산되었는데 이중 Boron 원자로 부터 가장 멀리 떨어져 있으며 12개의 Fe 원자들로 둘러싸인 Fe(j2-site)원자가 가장 큰 값(2.7 ${\mu}B$)의 자기모멘트를 갖고 Boron 원자와의 혼합 상호작용이 가장 큰 Fe(e-site)원자가 가장 작은 값(1.9 ${\mu}B$)의 자기모멘트를 갖는다.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2004.04b
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• pp.64-67
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• 2004

본 논문에서는 DNA를 이용한 나노 소자에 응용하기 위하여, photo-lithograpy를 사용하여 나노크기(<100)의 간격을 갖는 금 전극을 제작하였다. 그리고 제작되어진 되어진 나노 전극위에 2-Amino ethanthiol(AET)를 코팅하여 AET와 $\lambda$-DNA 사이의 정전기적 상호 작용을 이용, 금 나노전극 사이에 간단하고 고착율을 높이는 실험을 하였다. SEM(Scanning Electron Microscope) 분석을 통해 나노 크기의 전극 간격을 확인하였고, 두 전극사이에 연결되어진 $\lambda$-DNA는 AFM(Atomic force microscope)을 확인하였다.

• Journal of the Korean Chemical Society
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• v.21 no.1
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• pp.32-37
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• 1977

Conformations of nine 2-substituted furan, thiophene and pyrrole compounds have been studied by EHT methods. The preferred conformations of furan derivatives were trans form, which were mainly stabilized by electrostatic interactions. For thiophenes, electronic conjugation between the ring S and carbonyl oxygen was dominant, while for pyrroles both the electrostatic and conjugation effects were operative in determining the preferred conformations. Results of EHT calculation agreed well with experimentally determined preferences.

• Journal of the Korean Society of Propulsion Engineers
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• v.20 no.2
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• pp.18-23
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• 2016

Self-assembly of organic molecules is formed spontaneously on surfaces by electrostatic interaction with substrate. This research has shown that the self-assembly improves safety and handling tractability of high-energetic materials (HEMs). According to the recent study, control of the specific crystal size for reducing the internal defects is mightily important, because the internal defects are a factor in unstability of HEMs. In turn, we performed self-assembly of organic molecules and HEMs by using nano-sized HEMs, which were produced by drowing-out or milling/crystallization. Surface modification efficiency was decided by size distribution, zeta-potential, friction sensitivity and electrostatic charge.

• Journal of the Korean Magnetics Society
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• v.1 no.1
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• pp.6-11
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• 1991

In order to investigate electronic and magnetic properties of permanent magnets, we have performed self-consistent electronic structure calculations on compounds of rare-earth and transition metals, such as $SmCo_{5},\;NdB_{6},\;NdFe_{5},\;NdFe_{4}B$. Employing the local density LMTO(linearized muffin tin orbital) band method, we have obtained the ground state parameters, such as band structures, density of states, Stoner parameters, and magnetic moments. We have also investigated interactions between d,f-electrons of Nd, Sm rare-earths and d-electrons of Fe, Co transition metals, and the s,p electrons of boron and explored effects of such interactions on the bonding mechanism and the electronic and magnetic structures in these rare-earth compounds.

• Nuclear Engineering and Technology
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• v.4 no.4
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• pp.294-300
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• 1972

CNDO/2 and INDO calculations have been carried out on varying geometries of methyl chloro-and fluoro-formates. Results show that the configuration in which halogen atom is trans to methyl group is the most stable. Atomic charges and overlap population show that the trans form is stabilized by conjugation of carbonyl double bend with the unshared pairs of the ether oxygen and by electrostatic attraction of carbonyl oxygen to methyl group. Dipole moments of the trans forms agree reasonably well with the experimental values but showed that any generalizations made with dipole moments from bond moments should be accepted with considerable reservations.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.494-494
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• 2012

최근에 현대 물리학과 과학의 정점에 있는 초전도가속기 같은 고에너지 빔 가속기 시스템에서 Diocotron instability의 연구가 재조명 되고 있다. 환형의 전자 빔 사이로 프로톤 빔을 통과시키는 구조로써 자기장과 회전하는 전자빔의 상호작용에 기초를 두고 있으며 이 환형의 전자 빔이 고에너지의 프로톤 빔을 집속하는 역할을 한다. 하지만 전자빔이 진행함과 동시에 왜곡되는 현상이 발생하는데 이 왜곡되는 현상을 충분히 조절하지 못한다면 프로톤 빔의 손실과 가속하는 빔의 에너지 저하를 초래하게 될 것이고 또한 실험장치 자체에도 큰 결함을 발생 시킬 수 있다. 따라서 Diocotron instability는 가속기를 활성화 하는데 주요한 테마가 될 것이다. 환형의 전자 빔 층은 정전기적 효과로 인해서 안쪽과 바깥쪽의 속도차가 발생하게 되고 이로 인하여 drift instability 가 발생하게 되어서 왜곡이 발생하고 결국에는 몇 개의 소용돌이를 생성하게 된다. 본 연구에서는 이를 2차원 원통형 구조의 Particle-in-cell 시뮬레이션을 통하여 연구하였으며 자기장의 효과에 따른 환형의 전자빔의 왜곡현상을 지연시키는 방안에 중점을 두었다. 특히 자기장의 세기, 전자빔의 밀도, 전자빔 층의 두께, 전자빔의 프로필의 차이에 의한 결과로 연구하였다.

• Journal of Korea Multimedia Society
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• v.11 no.9
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• pp.1204-1212
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• 2008

The vehicle simulation (flight simulator) in 1920's was the first in the virtual reality. With the development of precise optical and electromagnetic equipment, the virtual reality widened its application for other purposes than military one. Based on the realistic display technology, it is more and more common in the various areas such as entertainment, medical profession, learning, film, architectural design, tourism and etc. In 1989, Jaron Ranier was the first to use the terminology 'Virtual Reality'. With this term, all virtual projects could be classified in a single item. But even before the term was used, the virtual reality has been studied up to now. As a part of virtual reality, the human thirst for the impossible thing has led to the development of ride film. The ride film consists of the special technical elements as well as the psychological analysis of human being. The ultimate purpose of virtual reality is engrossment through interaction. Even though the real interaction requires interface, input sensor and reaction ability, the ride film is not an element of the typical interaction. The virtual reality is mostly defined in technical terms now. But in this study, we will analyze the concepts worked out by Professor Michael Haim who is called a philosopher in the cyberspace in aspect of experience-oriented definition. We will analyze the adaptability of virtual reality based on his concepts such as artificial reality/ interaction/ engrossment/ networked world/ remote display/ simulation/ onmon engrossment. And also, we aim to suggest the directions of developing the ride films for perfect engrossment and to draw optimized conclusion thereon. In this viewpoint, we consider that the study of ride film on which there were few case studies will contribute to level up the basic frameworks of IT technology and the digital image.

• Journal of the Korean Chemical Society
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• v.31 no.1
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• pp.14-24
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• 1987

The CNDO/2 method has been used to calculate the electronic structure of the zeolites and silicas, and to investigate the interaction of CO molecules with the OH groups or the exchanged cation in the zeolites. The interaction energies of CO molecules with OH groups in silica were ca. 12kcal/mol, the bond distance, R(O-H${\cdots}$C) was 2.6${\AA}$. The strength of bond between CO molecules and various types of cations in the zeolites was in the following order: $H^+ < Na^+ < Li^+$, i.e., this increased with increasing electrostatic field of cations. The bond orders of CO molecules interacting with the OH groups or the cations increased but for the OH-OC type interaction. The theoretical decationization energies of exchanged cations in the zeolites decreased in the order: $H^+ > Li^+ > Na^+$. And these energies depended on the amount of charge density transfered from the skeleton to the cations in order to compensate its negative charge.

• Journal of the Korean Magnetics Society
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• v.3 no.2
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• pp.94-100
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• 1993

Electronic and magnetic properties of the novel rare-earth permanent magnet, $Sm_{2}Fe_{17}N_{3}$, are investigated by performing self-consistent local density functional electronic structure calculations. Employing the LMTO(Linearized Muffin-Tin Orbital) band method, we have obtained the electronic band structures for both paramag-netic and ferromagnetic phases of $Sm_{2}Fe_{17}N_{3}$. Based on the energy band structures, we have studied bonding ef-fects among Sm, Fe, and N atom as well as electronic and magnetic structures. It is found that the N atom sub-stantially reduces the magnetic moment of neighboring Fe atoms through the hybridization interaction and also plays a role in stabilizing the structure. the average magnetic moment of Fe atoms in the ferromagnetic phase of $Sm_{2}Fe_{17}N_{3}$ is estimated to be $2.33{\mu}_B$, which is ~8% larger than the magnetic moment of $Sm_{2}Fe_{17}$, $2.16{\mu}_B$. The Fe I (c) atom, which is located farthest from the N atom and surrounded by 12 Fe nearest neighbors, has the largest magnetic moment ($2.65{\mu}_B$), while the Fe III (f), whose hybridization interaction with N atom is very strong, has the smallest magnetic moment($1.96{\mu}_B$).