• Journal of the Korean Magnetics Society
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• v.5 no.5
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• pp.846-853
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• 1995

In order to study electronic structures for locally disordered systems, we have developed a first-principle self-con-sistent-spin-polarized real space band method (TB-LMTO-R), which combines the tight-binding(TB) linear-muffin-tin orbital(LMTO) band rrethod and the recursion(R) rrethod. The TB-LMTO-R rrethod has been applied to fer-romagnetic bec Fe, hcp Co, and fcc Ni. With varying cluster sizes, recursion coefficients, and the order of the TB-Hamiltonian, we have calculated the local density of states(LDOS) and magnetic moments. It is found that the calculation with 5,000 atoms cluster, 40 continued fractions, and the second-order TB-Hamiltonian yields a conver¬gent result in agreement with those from the conventional LMTO. In this way, we have demonstrated a physical transparency of the TB-LMTO-R method as a real space description.

• Journal of the Mineralogical Society of Korea
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• v.21 no.3
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• pp.321-329
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• 2008

Amorphous silica nanoparticles are among the most fundamental $SiO_2$ compounds, having implications in diverse geological processes and technological applications. Here, we explore structural details of amorphous silica nanoparticles with varying particle sizes (7 and 14 nm) using $^{29}Si$ and $^{1}H$ MAS NMR spectroscopy together with quantum chemical calculations to have better prospect for their size-dependent atomic structures. $^{29}Si$ MAS NMR spectra at 9.4 T resolve $Q^2,\;Q^3$ and $Q^4$ species at -93 ppm, -101 ppm, -110 ppm, respectively. The fractions of $Q^2,\;Q^3,\;O^4$ species are $7{\pm}1%,\;27{\pm}2%$, and $66{\pm}2%$ for 7 nm amorphous silica nanoparticles and $6{\pm}1%,\;21{\pm}2%$, and $73{\pm}2%$ for 14 nm amorphous silica nanoparticles. Whereas it has been suggested that $Q^2$ and $Q^3$ species exist on particles surfaces, the difference in $Q^{2}\;+\;Q^{3}$ fraction in both 7 and 14 nm particles is not significant, suggesting that $Q^2$ and $Q^3$ species could exist inside particles. $^{1}H$ MAS NMR spectra at 11.7 T shows diverse hydrogen environments, including physisorbed water, hydrogen bonded silanol, and non-hydrogen bonded silanol with varying hydrogen bond strength. The hydrogen contents in the 7nm silica nanoparticles (including water and hydroxyl groups) are about 3 times of that of 14 nm particles. The larger chemical shills for proton environments in the former suggest stronger hydrogen bond strength. The fractions of non-hydrogen bonded silanols in the 14 nm amorphous silica nanoparticles are larger than those in 7 nm amorphous silica nanoparticles. This observation suggests closer proximity among hydrogen atoms in the nanoparticles with smaller diameter. The current results with high-resolution solid-state NMR reveal previously unknown structural details in amorphous silica nanoparticles with particle size.

• Journal of Science Education
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• v.44 no.3
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• pp.331-344
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• 2020

This study aims to find meaningful implications for the development of Korean elementary school math education courses and textbooks by comparing and analyzing the number and arithmetic areas of Korean and Canadian math textbooks in fifth and sixth grades. To this end, the textbook composition system of Korean and Canadian elementary schools was compared and analyzed, and the number and timing of introduction of math textbooks and math textbooks by grade, and the number in fifth and sixth grade and the learning contents of math textbooks were compared and analyzed. The following conclusions were obtained from this study: First, it is necessary to organize a textbook that can solve the problem in an integrated way by introducing the learned mathematical concepts and computations naturally in the context of problems closely related to real life, regardless of the type of private calculation or mathematics area. Second, it is necessary to organize questions using materials such as real photography and mathematics, science, technology, engineering, art, etc. and to organize textbooks that make people feel the necessity and usefulness of mathematics. Third, sufficient learning of the principles of mathematics through the use of various actual teaching aids and mathematical models, and the construction of textbooks focusing on problem-solving strategies using engineering tools are needed. Fourth, in-depth discussions are needed on the timing of learning guidance for fractions and minority learning or how to organize and develop learning content.

• 한국해양학회지
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• v.24 no.1
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• pp.52-61
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• 1989

The daily net primary production by phytoplankton and ammonium excretion by macrozooplankton (> $350{\mu}m$) were measured to understand the nitrogenous nutrient dynamics in the southern part of the East Sea of Korea. At most of the staions, water columns were well stratified and strongly developed pycnoclines and matching nutriclines could be found near the 20-60m. Total chlorophyll ranged between $1.22-3.24{\mu}g$ ChI/l and nano-fractions of chlorophyll ranged from 43.2 to 99.6% in the surface layer. The daily net primary production by phytoplankton ranged from 0.75 to 2.04 gC/$m^2$/d and averaged to be 1.5 gC/$m^2$/d. 1t is evidenced that the primary production and chlorophyll content are relatively high in frontal waters where the North Korean Cold Water meets with the East Korean Warm Water. The turnover time of nitrate in the euphotic zone ranged from 0.2 day to 1.6 day and averaged to be 0.8 day. The N:P ratio of the study area shows on the average 13.4 which indicates nitrogenous nutrient to be the limiting factor for phytoplankton growth. Ammonium excretion by macrowoplankton averaged out to 1.3mg at-N/$m^2$/d, and contributed 7.3% of daily total nitrogen requirement by phytoplankton in this area. Calculation of upward flux of nitrate to the surface mixed layer from the lower layer approximates 7% of nitrogen requirement by phytoplankton.

• Korean Journal of Mineralogy and Petrology
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• v.36 no.4
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• pp.355-363
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• 2023

In this study, we explore the nature of clumped isotopes of H₂O molecule using quantum chemical calculations. Particularly, we estimated the relative clumping strength between diverse isotopologues, consisting of oxygen (¹⁶O, ¹⁷O, and ¹⁸O) and hydrogen (hydrogen, deuterium, and tritium) isotopes and quantify the effect of temperature on the extent of isotope clumping. The optimized equilibrium bond lengths and the bond angles of the molecules are 0.9631-0.9633 Å and 104.59-104.62°, respectively, and show a negligible variation among the isotopologues. The calculated frequencies of the modes of H₂O molecules decrease as isotope mass number increases, and show a more prominent change with varying hydrogen isotopes over those with oxygen isotopes. The equilibrium constants of isotope substitution reactions involving these isotopologues reveal a greater effect of hydrogen mass number than oxygen mass number. The calculated equilibrium constants of clumping reaction for four heavy isotopologues showed a strong correlation; particularly, the relative clumping strength of three isotopologues was 1.86 times (HT¹⁸O), 1.16 times (HT¹⁷O), and 0.703 times (HD¹⁷O) relative to HD¹⁸O, respectively. The relative clumping strength decreases with increasing temperature, and therefore, has potential for a novel paleo-temperature proxy. The current calculation results highlight the first theoretical study to establish the nature of clumped isotope fractions in H₂O including ¹⁷O and tritium. The current results help to account for diverse geochemical processes in earth's surface environments. Future efforts include the calculations of isotope fractionations among various phases of H₂O isotopologues with a full consideration of the effect of anharmonicity in molecular vibration.