• Journal of the Korean Magnetics Society
• /
• v.20 no.3
• /
• pp.120-128
• /
• 2010

Electron spin resonance (ESR) is one of an experimental choice for studying magnetic materials that have one or more unpaired electrons. ESR spectroscopy finds its wide applications in branches of science encompassing physics, chemistry, biology, medicine and quantum computation. In this brief review we introduce a basic principle of ESR and describe how to extract information on g-factor, spin and orbital states from the ESR spectral parameters. Finally, several examples are discussed with an intention to have a practical feeling of what ESR can do in magnetism.

• Proceedings of the Korean Magnestics Society Conference
• /
• 2014.05a
• /
• pp.48-49
• /
• 2014

• Proceedings of the KWS Conference
• /
• 2004.05a
• /
• pp.27-29
• /
• 2004

Orbital TIG welding process being used fur the new construction, the repair of nuclear piping system ana other critical piping. When weld quality is important or there are a large number of similar weld to be made or when access is restricted with manual torch, Orbital TIG welding is most effective process because of practical for out-of-position and high weld quality. Furthermore, typically superior to manual TIG welding process where the pipe remains in place and the tungsten electrode orbits the weld. As smaller and more compact welding head is being developed, could operate in tight spaces and lend itself to this type of application better than any other welding process. Orbital TIG welding has become more and more field practical process.

• Journal of Welding and Joining
• /
• v.27 no.1
• /
• pp.71-78
• /
• 2009

In the circumferential welding of pipe, welding phenomenon changes with the position of pipe. Especially in the overhead position, back bead of vertical-up position would be sunk. To investigate the size of back bead and keyhole with the change of the flow rate of pilot and shield gas at each position, bead-on plate welds were conducted on 6mm thickness SS400 with inclined-up position. When the rest of welding conditions remained constant, the width of back bead was increased as the flow rate of pilot gas was increased. And back bead tended to convex as the flow rate of shield gas was increased.

• 한국전산유체공학회:학술대회논문집
• /
• 2007.04a
• /
• pp.79-82
• /
• 2007

The aerodynamic coefficients of Apollo capsule are calculated using a DSMC solver, SMILE, and the results agree very well with the data predicted by NASA. The aerodynamic characteristics of an orbital block which operates at high altitudes in the free molecule regime are also predicted. For the nominal flow conditions, the predicted aerodynamic force is very small since the dynamic pressure is extremely low. And the additional aerodynamic coefficients for the analysis of the attitude control are presented as the angle of attack and the side slip angle vary from $+45^{\circ}\;to\;-45^{\circ}$ of the nominal angle.

• Proceedings of the KWS Conference
• /
• 2003.05a
• /
• pp.155-158
• /
• 2003

Orbital GTA welding is used in the pressure pipe line of auto-mobile, LNG and plant piping. To weld the pipe line safely, to some extent, the back bead must be formed in the root pass. In the plate welding the back bead can be observed, but in the pipe welding, the back bead can not be observed directly. In the welding around circumference, the parameters such as gravity, surface tension and arc force are different at each position. And then D/B for welding condition at each position are required. We also studied about the setting of the optimum orbital welding condition by controlling heat input.

• Proceeding of EDISON Challenge
• /
• 2017.03a
• /
• pp.165-171
• /
• 2017

Diels-Alder 반응은 고리형 탄소화합물을 만드는 유기 합성 과정에서 매우 중요한 반응이다. 이 반응은 중간생성물 없이 오직 1 step으로 진행되는데, diene이나 dienophile에 결합한 치환기의 electron donating 및 electron withdrawing 성질에 따라 반응성이 달라진다고 알려져 있다. 이 때 반응물인 diene과 dienophile의 분자 오비탈 및 전이 상태의 에너지 변화를 계산화학을 통해 분석한다면 Diels-Alder 반응을 보다 심도 있게 이해할 수 있다. 이에 따라 본 연구에서는 DFT 계산을 통하여 치환기에 따른 활성화 에너지의 크기와 diene의 nucleophilicity 및 dienophile의 electrophilicity를 비교하였다. 이를 통해 electron withdrawing group의 경우 분자의 electrophilicity를 증가시키고, electron donating group의 경우 nucleophilicity를 증가시킨다는 것을 확인할 수 있었다. 그 결과, Diels-Alder 반응이 일어날 때 dienophile의 경우 치환된 electron withdrawing group에 의해 electrophilicity가 증가함에 따라 활성화 에너지가 낮아져 반응이 잘 일어나고, 반대로 diene의 경우 electron donating group이 치환되어 있을 때 nucleophilicity의 증가에 따라 반응이 잘 일어난다는 것을 알 수 있었다.

• Proceeding of EDISON Challenge
• /
• 2014.03a
• /
• pp.39-51
• /
• 2014

산성비의 주요 원인인 이산화황($SO_2$)을 배기가스로부터 효과적으로 제거하기 위한 용매 중 이온성 액체(ionic liquid, IL)의 $SO_2$ 흡수능 (absorption capacity)을 양자화학적 방법을 이용하여 평가했다. 이를 위해 hydroxyl ammonium 계열의 양이온 monoethanolammonium, diethanolammonium 2종과 carboxylate 계열의 음이온 acetate, formate 2종을 조합하여 총 4종의 IL을 연구에 적용했다. $SO_2$가 IL의 pair, 양이온 또는 음이온과 complex를 형성할 때로 구분하여 계산 모델을 세웠으며, 열역학적 상태 변화와 오비탈 상호작용 분석을 통해 흡수능을 평가하였다. 계산 결과, 음이온-$SO_2$ complex를 적용했을 때 formate에 비해 acetate가 $SO_2$ 흡수에 유리할 것으로 분석되었으며, 이는 이전의 실험 연구에서 얻어진 흡수능 경향성과도 잘 맞는다.

• Korean Journal of Mineralogy and Petrology
• /
• v.33 no.1
• /
• pp.1-10
• /
• 2020

The atomic structures of silicate liquids at high pressure provide insights into the transport properties including thermal conductivities or elemental partitioning behavior between rocks and magmas in Earth's interior. Whereas the local electronic structure around silicon may vary with the arrangement of the nearby oxygens, the detailed nature of such relationship remains to be established. Here, we explored the atomic origin of the pressure-induced changes in the electronic structure around silicon by calculating the partial electronic density of states and L₃-edge X-ray absorption spectra of SiO₂ polymorphs. The result showed that the Si PDOS at the conduction band varies with the crystal structure and local atomic environments. Particularly, d-orbital showed the distinct features at 108 and 130 eV upon the changes in the coordination number of Si. Calculated Si XAS spectra showed features due to the s,d-orbitals at the conduction band and varied similarly with those observed in s,d-orbitals upon changes in the crystal structures. The calculated Si XAS spectrum for α-quartz was analogous to the experimental Si XRS spectrum for SiO₂ glass, implying the overall similarities in the local atomic environments around the Si. The edge energies at the center of gravity of XAS spectra were closely related to the Si-O distance, thus showing the systematic changes upon densification. Current results suggest that the Si L_2,3-edge XRS, sensitive probe of the Si-O distance, would be useful in unveiling the densification mechanism of silicate glasses and melts at high pressure.

• Journal of Korean Society of Environmental Engineers
• /
• v.38 no.5
• /
• pp.242-248
• /
• 2016

The overall reaction rate of fuel cell is governed by oxygen reduction reaction (ORR) in the cathode due to its slowest reaction compared to the oxidation of hydrogen in the anode. The ORR efficiency can be readily evaluated by examining the adsorption strength of atomic oxygen on the surface of catalysts (i.e., known as a descriptor) and the adsorption energy can be controlled by transforming the surface geometry of catalysts. In the current study, the effect of the surface geometry of catalysts (i.e., strain effect) on the adsorption strength of atomic oxygen on platinum catalysts was analyzed by using density functional theory (DFT). The optimized lattice constant of Pt ($3.977{\AA}$) was increased and decreased by 1% to apply tensile and compressive strain to the Pt surface. Then the oxygen adsorption strengths on the modified Pt surfaces were compared and the electron charge density of the O-adsorbed Pt surfaces was analyzed. As the interatomic distance increased, the oxygen adsorption strength became stronger and the d-band center of the Pt surface atoms was shifted toward the Fermi level, implying that anti-bonding orbitals were shifted to the conduction band from the valence band (i.e., the anti-bonding between O and Pt was less likely formed). Consequently, enhanced ORR efficiency may be expected if the surface Pt-Pt distance can be reduced by approximately 2~4% compared to the pure Pt owing to the moderately controlled oxygen binding strength for improved ORR.