• 대한지하수환경학회지
• /
• 제2권1호
• /
• pp.38-47
• /
• 1995

이 연구에서는 삼척탄전 내에 위치하는 폐탄광인 동해탄광을 대상으로 산성 광산폐수의 중화 처리를 위한 각종 기초자료를 제시하고자 하였다. 산성 광산폐수의 측정시기에 따른 변화양상을 관찰한 결과 갈 수기에는 각종 잠재적 유독성 원소들의 함량이 증가하며, pH가 하락하여 수질이 악화되는 경향을 보였다. 공업용 소석회는 처리효율 및 경제성을 고려할 경우 산성 광산폐수의 처리를 위한 최적의 중화제로 판단되며, 평형 모델링 결과 중화처리과정에서 Fe는 FeOOH의 형태로, Al은 Al(OH)$_3$, 의 형태로 침전되는 것으로 추정된다. GIS를 이용하여 동해탄광일대 산성 광산폐수 처리시설의 위치를 제시하였으며 수문학적 자료를 이용하여 최대강우량 및 첨두유량을 계산하였다.

• 대한전기학회논문지:전기물성ㆍ응용부문C
• /
• 제50권5호
• /
• pp.238-242
• /
• 2001

In this paper, we extracted design parameters for re-entrant mode microstrip directional coupler using FE(finite element) calculations. The microstrip directional coupler suffers from a poor directivity due to effect of the inhomogeneous dielectric including both dielectric substrate and air in microstrip transmission lines. Thus, the phase velocity of even mode is not equal to that of odd mode. In order to improve the directivity of microstrip directional coupler, a novel re-entrant mode microstrip directional coupler was employed. In microstrip configuration, the high directivity can be reached by matching the even- and odd-mode effective phase velocities. Through the values of capacitance obtained from 2-dimensional FE calculations, the phase velocities for each mode and the design parameter were extracted for the proposed parallel coupled-line configuration. Based on the extracted design parameter with phase matching condition, we designed and fabricated a 30dB directional coupler at 0.85GHz. Experimental results show good performance with excellent, isolation and directivity.

• 한국재료학회지
• /
• 제33권10호
• /
• pp.422-429
• /
• 2023

High-strength low-alloy steel is one of the widely used materials in onshore and offshore plant engineering. We investigated the alloying effect of solute atoms in α-Fe based alloy using ab initio calculations. Empirical equations were used to establish the effect of alloying on the Vicker's hardness, screw energy coefficient, and edge dislocation energy coefficient of the steel. Screw and edge energy coefficients were improved by the addition of V and Cr solute atoms. In addition, the addition of trace quantities of V, Cr, and Mn enhanced abrasion resistance. Solute atoms and contents with excellent mechanical properties were selected and their thermal conductivity and thermal expansion behavior were investigated. The addition of Cr atom is expected to form alloys with low thermal conductivity and thermal expansion coefficient. This study provides a better understanding of the state-of-the-art research in low-alloy steel and can be used to guide researchers to explore and develop α-Fe based alloys with improved properties, that can be fabricated in smart and cost-effective manners.

• 대한전기학회:학술대회논문집
• /
• 대한전기학회 1991년도 하계학술대회 논문집
• /
• pp.43-46
• /
• 1991

Nd-Fe-B Permanent Magnet, which is recently more used, has some advantages in comparison with other permanent magnet. However, for the Nd-Fe-B has higher RTC(reversible temperature coefficient), property of the Nd-Fe-B magnet is changed by temperature rise. In this paper temperature rise of a disc type motor is calculated using a heat source network method.

• Bulletin of the Korean Chemical Society
• /
• 제19권10호
• /
• pp.1042-1047
• /
• 1998

The fluorescence excitation (FE) spectrum of the S1-S0 (1B2-1A1) transition of dimethyldiazirine cooled in supersonic jet expansions has been obtained. Dispersed fluorescence (DF) spectra have also been taken for some prominent features of the FE spectrum. Vibrational analyses of the FE and DF spectra with the help of an ab initio molecular orbital calculation lead to some new vibrational assignments and refined fundamental frequencies.

• 대한화학회지
• /
• 제23권4호
• /
• pp.198-205
• /
• 1979

금속이온의 $d^2sp^3$ 혼성궤도함수와 리간드의 singIe basis set 궤도함수를 사용하여 팔면체 [M(II)O_3S_3]$형태 착물의 쌍극자모멘트를 계산하는 원자가결합법을 발전시켰다. [M(III)=V(III), Cr(III), Mn(III), Fe(III), Co(III), Ru(III), Rh(III) 및 Os(III)]. 이 새로운 방법에 있어서 금속이온의 valence basis sets와 리간드 궤도함수사이의 혼성계수가 같다고 가정할 필요가 없으며 이것이 근사분자궤도함수법에 의한 팔면체 전이원소 착물의 쌍극자모멘트를 계산하는 방법과 다른점이다. 원자가결합법에서는 근사분자궤도함수법에서 보다도 훨씬 쉽게 팔면체착물의 쌍극자 모멘트를 계산할 수 있으며 계산한 쌍극자 모멘트의 값이 또한 실험치 범위에든다.

• 한국재료학회지
• /
• 제15권9호
• /
• pp.566-576
• /
• 2005

This paper describes an ab Initio study on interface energies, misfit strain energies, and electron structures at coherent interfaces Fe(bcc structure)/MCs(NaCl structure M=Ti, Zr, Hf). The interface energies at relaxed interfaces Fe/TiC, Fe/ZrC and Fe/HfC were 0.263, 0.153 and $0.271 J/m^2$, respectively. It was understood that the dependence of interface energy on the type of carbide was closely related to changes of the binding energies between Fe, M and C atoms before and after formation of the interfaces Fe/MCs with the help of the DLP/NNBB (Discrete Lattice Plane/ Nearest Neighbour Broken Bond) model and data of the electron structures. The misfit strain energies in Fe/TiC, Fe/ZrC and Fe/HfC systems were 0.390, 1.692 and 1.408 eV per 16 atoms(Fe: 8 atoms and MC; 8 atoms). More misfit energy was generated as difference of lattice parameters between the bulk Fe and the bulk MCs increased.

• Journal of Magnetics
• /
• 제1권1호
• /
• pp.9-13
• /
• 1996

The effects of surface relaxation on surface and interface magnetism in Fe/Cr (001) are investigated using the highly precise all-electron total-energy full-potential linearized augmented plane wave method. The Fe-Cr interlayer spacing is deter-mined by total-energy calculation and it is found to be relaxed downward by 18%. For the relaxed system, the magnetic moment of surface Fe is highly suppressed to be $1.72\mu_B$compared to the unrelaxed case ($2.39\mu_B$). This reduction of magnetic moment is considered as a result of the enhanced hybridization between Fe-d and Cr-d states, which can be seen from the calculated density of states. This work suggests the importance of effect of relaxation to the surface and interface magnetism in Fe/Cr system.

• 한국진공학회지
• /
• 제16권1호
• /
• pp.1-6
• /
• 2007

우리는 O/Fe(100)의 원자적 구조와 MgO/Fe(100) 표면의 계면의 구조를 LEED I/V curve를 이용하여 분석하였다. 산소를 Fe(100) 표면에 흡착시켰을 때 Fe 표면의 첫 번째 층간 간격은 약 16 % 정도 팽창하는 것을 확인하였다. 1ML MgO를 Fe(100) 표면에 성장하였을 때, MgO의 O가 Fe의 on-top 위치에 자라나는 것을 확인하였고, MgO/Fe 계면의 층간 간격이 확장되는 것을 확인하였다. AIA(average intensity mixing approximation) 계산을 사용하여 단층 MgO 성장한 Fe(100) 계의 계면구조는 MgO/FeO/Fe(100)와 MgO/Fe(100)의 계면구조를 갖는 것을 확인하였다. 이것은 확장된 FeO 층의 존재를 보이고 MgO/FeO/Fe(100)와 MgO/Fe(100) 두가지 계면 구조의 공존을 보인 EELS 실험 결과를 뒷받침 한다.

• Journal of Magnetics
• /
• 제7권4호
• /
• pp.132-137
• /
• 2002

The electronic structures and magnetism of the non-oxide perovskite MgCFe$_3$(001) surface were investigated by using the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). We considered both of the MgFe terminated (MgFe-Term) and the CFe terminated (CFe-Term) surfaces. We found that the minority spin d-bands of Fe(S) of the MgFe-Term are strongly localized and Fermi level (EF) lies just below the sharp peak of the minority spin d-band of Fe(S), while the minority spin d-bands of Fe(S) of the CFe-Term are not localized much and Fermi level (E$_F$) lies in the middle of two peaks of the minority spins. The majority Fe(S) d-band width of MgFe- Term is narrower than that of the CFe-Term. It is found that the magnetic moment of Fe(S) of the MgFe- Term is 2.51 ${\mu}$$_B$, which is much larger than that of 1.97 ${\mu}$$_B$ of the CFe-Term.