• Carbon letters
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• 제13권3호
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• pp.182-186
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• 2012

A new model and resultant equation for the coagulation of acrylonitrile monomers in precipitation polymerization are suggested in consideration of the surface tension (${\gamma}$) and cohesive energy density ($E_{CED}$). The equation was proven to be quite favorable by considering figure fittings from known surface tensions and cohesive energy densities of certain organic solvents. The relationship between scale value of surface tension (${\gamma}$/M) and cohesive energy density of monomers can be obtained by changing the coagulation bath component for effective precipitation polymerization of acrylonitrile in wet spinning.

• Fibers and Polymers
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• 제5권3호
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• pp.225-229
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• 2004

The effect of UV and $^60{Co}$ gamma radiations on the physical and mechanical properties of nylon 6 mono-filaments with different draw ratios has been studied. Specimens were exposed to either up to 25 Mrad of gamma or up to 168 hrs of intense UV irradiation. The results show that nylon mono-filaments exposed to gamma rays, with much higher quantum energy than UV, undergo a larger extent of molecular chain scission. Higher irradiation dose also results in the production of insoluble, macroscopic three-dimensional cross-linked network structure. The amorphous regions with a lower density of cohesive energy (lower molecular orientation) show a higher extent of cross linking reaction whereas amorphous regions with a higher density of cohesive energy (higher orientation) show higher extent of chain scission reaction, irrespective of UV ray or gamma ray irradiation.

• Journal of Magnetics
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• 제16권3호
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• pp.201-205
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• 2011

We performed total energy and electronic structure calculations for the basic ground state properties of Fe using the conventional generalized gradient approximation (GGA) and screened hybrid functionals as the form of the exchange-correlation functional. To that end, we calculated structural (equilibrium lattice constants, bulk moduli, and cohesive energies) and electronic (magnetic moments and densities of states) properties. Both functional calculations gave the correct ground state, the ferromagnetic bcc phase, in which the structural parameters agreed well with experimental results. However, the description of the cohesive energies and magnetic moments at the ground state exhibited different behavior from each other: the unusually small cohesive energy and large magnetic moment were observed in the screened hybrid functional calculations compared to the GGA calculations. The reason for the difference was examined by analyzing the calculated electronic structures.

• 대한기계학회논문집A
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• 제32권5호
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• pp.387-395
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• 2008

Stress distribution and interfacial debonding process at the interface between a rubber mold and a powder compact were analyzed during unloading under cold isostatic pressing. The Cap model proposed by Lee and Kim was used for densification behavior of powder based on the parameters involved in the yield function of general Cap model and volumetric strain evolution. Cohesive elements incorporating a bilinear cohesive zone model were also used to simulate interfacial debonding process. The Cap model and the cohesive zone model were implemented into a finite element program (ABAQUS). Densification behavior of powder was investigated under various interface conditions between a rubber mold and a powder compact during loading. The residual tensile stress at the interface was investigated for rubber molds with various elastic moduli under perfect bonding condition. The variations of the elastic energy density of a rubber mold and the maximum principal stress of a powder compact were calculated for several interfacial strengths at the interface during unloading.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2000년도 제18회 학술발표회 논문개요집
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• pp.142-142
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• 2000

We performed a total energy calculation of clean alumunum surfaces of three low indices based on a density functional theory with a local density approximation, using the Ceperly-Alder exhange correlation parametrized by Perdew and Zunger. Pseudopotentials were generated for Al of which the plane wave cut-off was 15Ry. We used Gaussian broadening of a Fermi level to accelerate the convergence of our calculation with the Gaussian energy smearing parameter of 0.005Ry. First, we determine the lattice constant of the aluminum of an face-centered-cubic structure to be 3.96 which is comparable to the experimental data of 4.05 . The cohesive energy of 4.20eV/atom and the bulk modulus of 0.775$\times$1012dyne/cm2 are also comparable to the experimental values of 3.39eV/atom and 0.772$\times$1012dyne/cm2, respectively. Then we investigated the surface relaxation of (100), (110) and (111) surfaces using a 9-layer slab separated by 6-layer thick vacuum. The results are consistent with the existing experimental results.

• Nuclear Engineering and Technology
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• 제37권3호
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• pp.293-298
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• 2005

We have performed the density functional theory calculations of $UO_2$ using the spin-polarized generalized gradient approximation (SP-GGA) and the SP-GGA+U approach. The SP-GGA+U approach correctly predicts the insulating electronic structure with antiferromagnetic ordering, but the SP-GGA calculations predict metallic behavior. The cohesive properties obtained from the SP-GGA+U calculations are in good agreement with the available experimental results and previous calculations. The spin-polarized local density of states shows that the antiferromagnetic ordering of $UO_2$ is governed by 5f orbitals of uranium ion. Our calculations demonstrate that the strong correlation of U 5f electrons should be taken into account for a reliable description of $UO_2$ physics.

• KEPCO Journal on Electric Power and Energy
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• 제2권2호
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• pp.279-284
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• 2016

Assessing the handling properties of coal becomes a major issue for the operation of a fuel supply system in power plants, due to the increased types of coal imported into Korea. In this study, the cohesion strengths of 13 bituminous and sub-bituminous coals from different countries were tested by measuring the amount of force that leads to a failure of consolidated particles. The particle size was in the range of 0.1-2.8 mm, which represents the coarse particles before pulverization. While the cohesion strength was proportional to the compression force in the tested range, the effects of the surface moisture content and the weight fraction of fines were crucial for cohesive coals. At fixed conditions of surface moisture and particle size, large variations were found in the cohesion propensity between coals. For coals of 0.1-0.5 mm with the moisture added close to the critical value, cohesive coals had the density over $900kg/m^3$ after consolidation. The cohesion propensity was not correlated with the basic properties of coals with sufficient statistical significance.

• 한국수자원학회논문집
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• 제47권8호
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• pp.703-715
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• 2014

본 연구는 Schmidt 수(${\sigma}_c$)에 따른 부유사의 부유 거동 변화 및 흐름 특성의 변화를 살펴본 후, 그에 따라 계산된 성층 흐름의 척도가 되는 Flux Richardson 수($Ri_f$)와 Gradient Richardson 수($Ri_g$)를 근거로 타당한 ${\sigma}_c$의 범위를 산정하는 것을 목적으로 수행되었다. 부유사의 종류를 점착성 유사와 비점착성 유사로 구분하였으며 진동 흐름과 흐름 조건을 가정하고 1차원 연직 수치 모형을 이용하여 수치 실험을 수행하였다. 이 과정에서 ${\sigma}_c$가 난류 감소효과와 관계되는 상수인 것에 근거하여 부유사의 존재로 인한 난류 감소효과 고려 여부에 따른 흐름 특성의 변화를 살펴보았다. 그 결과, 흐름 조건에 관계없이 ${\sigma}_c$의 크기에 따라 부유 거동이 일관된 경향을 나타내는 것이 확인 되었으며 난류 감소효과를 고려하지 않는 경우 유속 및 난류 에너지가 과대 산정 되는 결과가 나타났다. 부유로 인한 성층화 조건을 형성하는 $Ri_f$ 및 $Ri_g$의 범위에 기초하여 결과를 분석하고 ${\sigma}_c$가 0.3에서 0.5의 범위에 해당될 때 성층 흐름 내 유사의 수직 혼합이 유효하게 계산된다는 결론이 도출되었다.

• Nuclear Engineering and Technology
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• 제49권8호
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• pp.1748-1751
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• 2017

Reduced activation ferritic/martensitic (RAFM) steels are widely applied as structural materials in the nuclear industry. To investigate hydrogen's effect on RAFM steels' elastic properties and the mechanism of that effect, a procedure of first principles simulation combined with experiment was designed. Density functional theory models were established to simulate RAFM steels' elastic status before and after hydrogen's insertion. Also, experiment was designed to measure the Young's modulus of RAFM steel samples with and without hydrogen charging. Both simulation and experiment showed that the solubility of hydrogen in RAFM steels would decrease the Young's modulus. The effect of hydrogen on RAFM steels' Young's modulus was more significant in water-quenched steels than it was in tempering steels. This indicated that defects inside martensite, considered to be hydrogen traps, could decrease the cohesive energy of the matrix and lead to a decrease of the Young's modulus after hydrogen insertion.

• 한국재료학회지
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• 제29권2호
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• pp.73-78
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• 2019

Lead free $(Ba_{0.7}Ca_{0.3})TiO_3$ thick films with nano-sized grains are prepared using an aerosol deposition (AD) method at room temperature. The crystallinity of the AD thick films is enhanced by a post annealing process. Contrary to the sharp phase transition of bulk ceramics that has been reported, AD films show broad phase transition behaviors due to the nano-sized grains. The polarization-electric hysteresis loop of annealed AD film shows ferroelectric behaviors. With an increase in annealing temperature, the saturation polarization increases because of an increase in crystallinity. However, the remnant polarization and cohesive field are not affected by the annealing temperature. BCT AD thick films annealed at $700^{\circ}C/2h$ have an energy density of $1.84J/cm^3$ and a charge-discharge efficiency of 69.9 %, which is much higher than those of bulk ceramic with the same composition. The higher energy storage properties are likely due to the increase in the breakdown field from a large number of grain boundaries of nano-sized grains.