• Progress in Superconductivity
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• 제13권2호
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• pp.85-89
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• 2011

제일원리 DFT+DMFT방법을 사용하여 철계열 고온초전도체 122 화합물 $AFe_2As_2$ (A=Ca, Sr, Ba) 에 대한 전자 및 자성 구조를 계산하였다. 계산된 전자구조는 실험에서 보고된 ARPES 결과와 어느 정도 일치함을 확인했다. 또한 계산을 통해 얻은 반자성 전이온도는 실험과 동일한 경향을 보여준다.

• Journal of Korean Vacuum Science & Technology
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• 제6권4호
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• pp.153-157
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• 2002

The electronic structures of Gd$_{5}$Si$_2$Ge$_2$ compound, which has a giant magnetocaloric effect, in the monoclinic and orthorhombic phases were calculated using the tight-binding linear-muffin-tin-orbital method within the atomic-sphere approximation. The calculated total energies of the monoclinic and orthorhombic structures in the paramagnetic phase confirm that the orthorhombic structure is more stable than monoclinic structure. The density of states (DOS) at the Fermi level of the orthorhombic phase is higher than that of the monoclinic phase in the paramagnetic phase, fulfilling the Stoner criterion. The calculated charge density verified the breaking of Ge(Si)-Ge(Si) bonding in the basal plane upon the orthorhombic-monoclinic phase transition. The DOS curve fairly well reproduces the photoemission spectrum.m.

• 전자공학회논문지A
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• 제33A권12호
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• pp.59-64
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• 1996

InSb MIS devices prepared by remote PECVD SiO$_{2}$ were fabricated. The SiO$_{2}$ films on InSb were deposited at atemperature range of 67~190$^{\circ}$C. The effects of deposition temperature on the structural characteristics of the SiO$_{2}$ films evaluated Auger electron spectroscopy showed that atomic raito of silicon to oxygen was 0.5 and composition toms were distributed uniformaly throuout the oxide film. The transition region is about 100$\AA$ for SiO$_{2}$/InSb interface. The leakage current density at 1MV/cm and the breakdownelectric field of the MiS device using SiO$_{2}$ film deposited at 105$^{\circ}$C were about 22 nA/cm$^{2}$ and 3.5MV/cm, respectively. The interface-state density at mid-bandgap extracted from 1 MHz high frequency C-V measurement was about 2X10$^{11}$ cm$^{-2}$eV$^{-1}$.

• 한국세라믹학회지
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• 제34권11호
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• pp.1099-1106
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• 1997

In the present study, the effect of TiB2 addition on the sintering behavior of ZrB2 ceramics was studied with hot pressing under Ar atmosphere. Hot pressing experiments were carried out in graphite dies at the 1$700^{\circ}C$, 180$0^{\circ}C$ under Ar atmosphere. The sintering density increased with increasing TiB2 contents. With the addition of 10wt% TiB2 almost theoretical density could be achieved by hot-pressing at 180$0^{\circ}C$. Zr-Ti-Fe-B compound in liquid phase was observed from the EDS and WDS analysis. It was considered that sinterability was enhanced due to the mass transfer through liquid phase formed at the sintering temperature. In addition of TiB2, transition metal of groups IV, substitutional solid solution could be formed.

• 제어로봇시스템학회:학술대회논문집
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• 제어로봇시스템학회 2001년도 ICCAS
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• pp.50.1-50
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• 2001

Dynamic optimization with partially structured model in a slurry-phase HDPE reactor is implemented by the modified hierarchical dynamic optimization. Optimal trajectories of MI and density of HDPE are calculated as controlled variables and optimal profiles of the concentrations of ethylene, hydrogen and comonomer are calculated as manipulated variables in dynamic optimization. MI, density, the concentrations of ethylene, hydrogen and comonomer are used as controlled variables and flow rates of ethylene, hydrogen and comonomer are sued as manipulated variables in control implementation. Two-level hierarchical method is applied in dynamic optimization to reduce computation time. In the upper level formulation ...

• 한국소음진동공학회:학술대회논문집
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• 한국소음진동공학회 2001년도 춘계학술대회논문집
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• pp.484-489
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• 2001

Recent trends in information storage devices disk are the transition from CD drives to high density DVD drives, the development of writable disk drives and the appearance of several high-density portable disk drives. In some flexible disk drives, self-excited disk vibrations become severe as rotation speed increases near or above critical speed. Critical speeds of CD/DVD, ASMO and floppy disks are experimentally measured and compared with analytical predictions. Flutter instability caused by aero-induced disk vibration at high speeds are experimentally observed. In ASMO, three nodal-diameter mode experiences its flutter at 8750 rpm with the frequency lock-on phenomenon. The CD/DVD disk does not have the aero-induce flutter up to 14,000 rpm.

• 한국초전도ㆍ저온공학회논문지
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• 제15권2호
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• pp.39-43
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• 2013

$MgB_2$ bulk samples are synthesized through solid state reaction route using Mg precursors with different particle size by keeping the boron precursor unchanged. Scanning electron microscopy study of the fractured surface for all the samples depicts quite distinct structure depending on the Mg precursor. Big size of Mg precursor resulted in to largely elongated and deep pores while smaller one gave roughly ellipsoidal and shallow pore structure. Influence of the Mg particle size on the grain to grain connectivity reflected in the critical current density value which was greater for samples with smaller Mg precursor. All the synthesized samples undergo a superconducting transition at around 36.5 K irrespective of different Mg precursor particle size.

• Coupled systems mechanics
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• 제5권4호
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• pp.305-314
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• 2016

We utilize first-principles calculations within density-functional theory to investigate the possibility of strain engineering in the tuning of the band structure of two-dimensional $MoS_2$. We find that the band structure of $MoS_2$ monolayers transits from direct to indirect when mechanical strain is applied. In addition, we discuss the change in the band gap energy and the critical stains for the direct-to-indirect transition under various strains such as uniaxial, biaxial, and pure shear. Biaxial strain causes a larger change, and the pure shear stain causes a small change in the electronic band structure of the $MoS_2$ monolayer. We observe that the change in the interaction between molecular orbitals due to the mechanical strain alters the band gap type and energy.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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• pp.189.2-189.2
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• 2014

The most stable adsorption structures and energies of four tautomerized forms (keto-1, enol-1, keto-2, and enol-2) of 3-methyl 5-pyrazolone (MP) adsorbed on Ge(100) surfaces have been investigated by Density Functional Theory (DFT) calculation method. Among its four tautomerized forms, we confirmed three tautomerized forms except keto-1 form show the stable adsorption structures when they adsorbed on the Ge(100)-$2{\times}1$ surface as we calculate the respective stable adsorption structures, activation barrier, transition state energy, and reaction pathways. Moreover, among three possible adsorption structures, we acquired that enol-2 form has most stable adsorption structure with O-H dissociated N-H dissociation bonding structure.

• Macromolecular Research
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• 제16권5호
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• pp.467-472
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• 2008

Rigid polyurethane foams (RPUFs) were fabricated from crude MDI (CMDI) and polypropylene glycols (PPGs) of various isocyanate indices with a physical blowing agent (HFC 365mfc). There was a tendency for the gel time to decrease and the tack-free time to increase with increasing index value. With increasing index value the foam density and compression strength decreased and the glass transition temperature, dimension stability and thermal insulation increased, while the cell size and closed cell content were virtually unchanged. Allophanate crosslinks and condensation reactions between the isocyanate groups, which are favored with a high index value, exerted significant effects on the properties of RPUFs.