• Proceedings of the Korean Nuclear Society Conference
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• 1997.05a
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• pp.57-61
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• 1997

A Canadian Deuterium Uranium (CANDU) reactor core calculation was performed using lattice parameters generated by HELIOS. The HELIOS-based lattice parameters were processed by TABGEN in a form suitable for the core analysis code RFSP. The core calculation was performed and the results were compared to those of the reference calculation which uses POWDERPUFS-V (PPV) for the lattice parameter generation. The characteristics of the core calculated based on the PPV and HELIOS lattice parameters match within 0.4%$\Delta$k and 7% for the excess reactivity and the channel power distribution, respectively.

• Korean Journal of Materials Research
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• v.25 no.12
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• pp.713-718
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• 2015

A new method is proposed for the calculation of the unrelaxed surface energy of spinel ferrite. The surface energy calculation consists of (1) setting the central and computational domains in the semi-infinite real lattice, having a specific surface, and having an infinite real lattice; (2) calculation of the lattice energies produced by the associated portion of each ion in the relative domain; and (3) dividing the difference between the semi-infinite lattice energy and the infinite lattice energy on the exposed surface area in the central domain. The surface energy was found to converge with a slight expansion of the domain in the real lattice. This method is superior to any other so far reported due to its simple concept and reduced computing burden. The unrelaxed surface energies of the (100), (110), and (111) of $ZnFe_2O_4$ and $Fe_3O_4$ were evaluated by using in the semi-infinite real lattices containing only one surface. For the normal spinel $ZnFe_2O_4$, the(100), which consisted of tetrahedral coordinated $Zn^{2+}$ was electrostatically the most stable surface. But, for the inverses pinel $Fe_3O_4$, the(111), which consisted of tetrahedral coordinated $Fe^{3+}$ and octahedral coordinated $Fe^{2+}$ was electrostatically the most stable surface.

• Nuclear Engineering and Technology
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• v.42 no.5
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• pp.500-519
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• 2010

AEGIS is a lattice physics code incorporating the latest advances in lattice physics computation, innovative calculation models and efficient numerical algorithms and is mainly used for light water reactor analyses. Though the primary objective of the AEGIS code is the preparation of a cross section set for SCOPE2 that is a three-dimensional pin-by-pin core analysis code, the AEGIS code can handle not only a fuel assembly but also multi-assemblies and a whole core geometry in two-dimensional geometry. The present paper summarizes the major calculation models and part of the verification/validation efforts related to the AEGIS code.

• Journal of the Korean Ceramic Society
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• v.31 no.4
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• pp.420-426
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• 1994

A new method is proposed for the oxide lattice energy calculation. It is consisted of (1) setting a central and a computation domains in a real lattice, (2) calculation of inter-ionic potential producted by the associated portion of each ion to the relative domain, and (3) summing up the potential energies. Even with a slight expansion of the domain, the lattice energy converges to the published data. The method is superior than any other reported due to the simple and clear concept and the reduced computing.

• Applied Microscopy
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• v.41 no.1
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• pp.75-79
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• 2011

For quantitative analysis of nano-crystal structure, we reported the accuracy improvement method of lattice parameters measured from electron diffraction. For calculation of Au lattice parameters used as a standard crystal structure, it was considered two different acquisition methods (detector and enegy-filter) and three different calculation methods (conventional, least-square and regression fit). As a result, the measurement reliability could be enhanced by using CCD camera which gives higher performance, while energy-filtering did not affect the improvement the camera constant accuracy. Also, the accuracy of lattice parameters could be improved up to $10^{-4}$ order by regression fitting with correction formula. Finally, it is expected that the combination of regression fitting and intensity extraction from energy-filtered precession electron diffraction gives a solution of quantitative structure analysis for unknown nano-crystals.

• Bulletin of the Korean Chemical Society
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• v.6 no.4
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• pp.183-186
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• 1985

The lattice vibrational calculation of orthorhombic hydrogen chloride is performed using physically realistic potential function which can reproduce the X-ray structure and heat of sublimation of the low temperature phase. The polar coordinates representation is introduced in order to describe the intermolecular interactions in a molecular crystal. The splitting in internal modes is calculated as 49 $cm^{-1}$ and the other modes are in good agreement with experimental results.

• Proceedings of the Korean Nuclear Society Conference
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• 1997.10a
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• pp.64-69
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• 1997

The code WIMS-AECL has been used for the lattice analysis of DUPIC fuel. The lattice parameters calculated by the code is sensitive to the choice of number of parameters, such as the number of tracking lines, number of condensed groups, mesh spacing in the moderator region, other parameters vital to the calculation of probabilities and burnup analysis. We have studied this sensitivity with respect to these parameters and recommend their proper values which are necessary for carrying out the lattice analysis of DUPIC fuel.

• Korean Journal of Materials Research
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• v.17 no.7
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• pp.358-360
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• 2007

Cobalt subtitution on NiSi is investigated by using an ab-initio calculation. Firstly, a relaxed NiSi structure is calculated and the calculated lattice parameters are compared with experimentally determined lattice parameters. The calculated values are smaller than the experimental values by about 2%. As the calculation is based on 0 K, and the experimental measurement is performed at room temperature, those values are in good agreement. Next, a Co atom substitutes a Ni and Si site, respectively, to evaluate the preferable site between them. Co prefers Ni site to Si site. The calculated total energy also indicates that the Co substitution to Ni site stabilizes the NiSi structure. Therefore, the thermal stability of NiSi with Co addition can be achieved by the structure stabilization of NiSi by Co substitution into Ni site of NiSi.

• Journal of Ocean Engineering and Technology
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• v.25 no.4
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• pp.48-53
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• 2011

Current trends in propeller design have led to the need for extremely complex blade shapes, which place great demands on the accuracy of design and analysis methods. This paper presents a new proposal for improving the prediction of propeller performance with a vortex lattice method using the lifting surface theory. The paper presents a review of the theory and a description of the numerical methods employed. For 8 different propellers, the open water characteristics are calculated and compared with experimental data. The results are in good agreement in the region of a high advanced velocity, but there are differences in the other case. We have corrected the parameters for the trailing wake modeling in this paper, and repeated the calculation. The new calculation results are more in agreement with the experimental data.

• Nuclear Engineering and Technology
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• v.31 no.6
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• pp.631-637
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• 1999

The module LEAPR of NJOY data processing system has been improved to have the capability of computing the thermal elastic scattering cross sections for silicon, which has a diamond-like structure. Silicon lattice was assumed as an fcc lattice with two atoms at each lattice point. The calculation formulas for thermal neutron elastic scattering by silicon were introduced and incorporated into LEAPR, and then the scattering cross sections for silicon were computed. The results were compared with experimental data, and they were found to give a good agreement with experimental data.