• Bulletin of the Korean Chemical Society
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• v.8 no.1
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• pp.10-15
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• 1987

The results of an ab initio (6-31G) molecular orbital calculation of the dipole moment derivatives and gas phase IR intensities of difluoromethane are reported. The results are compared with corresponding values obtained from a CNDO calculation. The directions of the dipole derivatives calculated by the two methods agree very well, whereas the intensities differ significantly. The results are also analyzed for the charge-charge flux-overlap electronic contributions to the dipole derivatives.

• Journal of Ocean Engineering and Technology
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• v.12 no.1
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• pp.128-134
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• 1998

This study is carried out the theoretical studies on wave transmission and motions in waves of twin hull type floating breakwaters with the vertical and horizontal plate. The method of calculation is based on the three dimensional singularity distribution method. The results show that wave transmission is affected by heave motion. Twin hull type is designed by the use of the theoretical method and good performance of the developed floating breakwater is confirmed for longer wave period.

• Journal of the Korean Institute of Telematics and Electronics D
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• v.35D no.8
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• pp.44-52
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• 1998

The theoretical modeling of transition energy and absorption coefficient for intersubband transitions in quantum wells in presented. We include, as well as hartree and exchange-correlation potentials, boht depolarization effect and exciton-like effect which play great roles in heavily doped cases where practically reasonable absorption coefficients are available. Also, the calculated results are compared with the existing experimental values for .delta.-doped Si quantum wells to check the validity of our theoretical calculation.

• Proceedings of the Korea Concrete Institute Conference
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• 2000.04a
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• pp.515-520
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• 2000

The state-of-the-practice design expressions currently used for the calculation of shear strength of concrete columns due to circular transverse hoop steel were reviewed. From this, it was found that the single valued constant effective section area of shear steel to be conservative in some degree that concrete sections built in non-seismic regions. A general expression as n alternative was suggested considering the wide range of section configurations. The theoretical prediction was validated through the experimental observations.

• Bulletin of the Korean Chemical Society
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• v.10 no.6
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• pp.488-491
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• 1989

Theoretical studies on the proton transfer reaction in a formamide dimer have been done by Ab initio SCF calculation. In this study, we have shown several effects on the potential energy profile of the proton transfer in a formamide dimer, such as the effect of a basis set, the effect of a geometry optimization, and the effect of a distance between proton-donor and proton-acceptor.

• Bulletin of the Korean Chemical Society
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• v.8 no.3
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• pp.174-179
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• 1987

The results of an ab initio (6-31G) molecular orbital calculations of the dipole moment derivatives and gas phase IR intensities in $CH_3F$ and $CF_4$ are reported. The results are compared with corresponding values obtained from a CNDO calculation. We have also analyzed the theoretical polar tensors into the charge, charge flux, and overlap contributions. The effective term charges of hydrogen atom appeared to be transferable among the fluoromethane molecules.

• Composites Research
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• v.31 no.5
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• pp.276-281
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• 2018

In this paper, elastic behavior of woven fabric composites with various fiber yarn structure were predicted through a theoretical calculation model. A representative volume elements (RVE) that can represent the mechanical properties of the woven composites were selected and crimp angle of the weave yarn was defined by several sinusoidal functions. The effective material properties of the woven composite such as young's modulus, shear modulus and poisson's ratio was predicted by classical laminate theory (CLT). The fiber volume fractions were calculated according to the shape and pattern (plain, twill weave) of the fiber yarn, and the elastic behavior of each woven composite was obtained through a theoretical calculation model. Also, to verify the theoretical predictions, woven composite specimens of plain and twill weave were fabricated by vacuum assisted resin transfer molding (VARTM) process and then mechanical test was conducted. As a results, a good correlation between theoretical and experimental results for the elastic behavior of woven composites could be achieved.

• Korean Journal of Digital Imaging in Medicine
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• v.11 no.2
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• pp.101-107
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• 2009

With the recent development of diagnosis using radiation and increasing demand of the medical treatment, we need to minimize radiation exposure dose. So, This is the method which reduce patient dose by measuring surface dose of radiographic change factor and by comparing theoretical and actual dose, when we take an X-ray which is generally used. By changing the factor of kV, mAs, FSD, whose range is 60 to 120 kV, 20 to 100 mAs, 80 to 180 cm, we compared theoretical surface dose with actual surface dose calculated by the simple calculation program, Bit system, and NDD-M method As a result, when kV and mAs were higher, theoretical surface dose and actual surface dose were more increased. but the higher FSD was, the more decreased surface dose was. According to this, the error were measured about 0.1 to 0.2 mGy in low dose part and about 0.7 to 1.5 mGy in high dose part. Therefore, this shows that theoretical surface dose calculation method is more correct in low dose part than in high dose part. In conclusion, we will have to make constant efforts which can reduce patient and radiographer's exposure dose, studying methods which can predict patient's radiation exposure dose more exactly.

• Journal of the Korean institute of surface engineering
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• v.53 no.3
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• pp.95-103
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• 2020

In this study, the material used in the hot dip galvanizing equipment was poorly corrosion-resistant, so it was performed to solve the cost and time problems caused by equipment replacement. The theoretical calculation was performed using the DV-Xα method(Discrete Variational Local-density approximation method). The alloy (STS4XX series) of the equipment currently used has a martensite phase. Therefore, the theoretical calculation was performed by applying P4 / mmm, which is a tetragonal structure. The new alloy was chosen by designing theoretical values close to existing materials. Considering elements that contribute to corrosion, most have high prices. Therefore, the design was completed by adjusting the content using only the components of the reference material in the theoretical design. The final design alloys were chosen as D6 and D9. Designed D6 and D9 were dissolved and prepared using an induction furnace. After the heat treatment process was completed, the corrosion rate of the alloys was confirmed by using the potentiodynamic polarization test. The surface of the prepared alloys were processed horizontally and then polished to # 1200 using sand paper to perform potentiodynamic polarization test. Domestic products: 4.735 mpy (mils / year), D6: 0.9166 mpy, D9: 0.3372 mpy, alloys designed than domestic products had a lower corrosion rate. Therefore, the designed alloy was expected to have better erosion resistance.

• Bulletin of the Society of Naval Architects of Korea
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• v.12 no.2
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• pp.59-66
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• 1975

Recently, as the dimensions of energy carriers increase, especially in draft, a reliable prediction of the ship motions at finite depths of water becomes necessary. The purpose of this paper is to probe the effect of finite water depth on the hydrodynamic forces and ship motions, particularly heave and pitch, in longitudinal regular head waves, by comparing the experimental value of Freakes and Keay with the author's theoretical value obtained by applying the modified strip theory to the Mariner class ship. It is confirmed that generally the hydrodynamic coefficients in the equations of motion increase with decreasing water depth, and the wave exciting forces and moments decrease with decreasing water depth. Amplitudes of heave and pitch in longitudinal regular head waves decrease as the water depth in the range where the length of the incident wave is comparatively long. The effects of Froude Number on the hydrodynamic coefficients increase with decreasing water depth and is more noticeable in the case of heave than pitch. In heave, generally the discrepancy between the experimental value and the theoretical value is relatively small in the case of $F_n=O$, but it is very large in the case of $F_n=0.2$. It is considered that the trend stems from the ignorance of the three dimensional effect and the other effects due to shallowness of water on the hydrodynamic coefficients in the theoretical calculation. An extension of methods for calculating the two dimensional hydrodynamic forces to included the effect of forward speed should be recommended. It is required that more experimental works in finite water depths will be carried out for correlation studies between the theoretical calculation, according tp modified strip theory, and model experiments.