• 한국자기학회:학술대회 개요집
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• 한국자기학회 2012년도 자성 및 자성재료 국제학술대회
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• pp.172-172
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• 2012

A Pt-skin $Pt_3Ni$(111) surface was reported to show high catalytic activity. In this study, we investigated the magnetic properties and electronic structures of the various oriented surfaces of bulk-terminated and Pt-segregated $Pt_3Ni$ by using a first-principles calculation method. The magnetic moments of Pt and Ni are appreciably enhanced at the bulk-terminated surfaces compared to the corresponding bulk values, whereas the magnetic moment of Pt on the Pt-segregated $Pt_3Ni$(111) surface is just slightly enhanced because of the reduced number of Ni neighboring atoms. Spin-decomposed density of states shows that the dz2 orbital plays a dominant role in determining the magnetic moments of Pt atoms in the different orientations. The lowering of the d-band center energy (-2.22 eV to -2.46 eV to -2.51 eV to -2.65 eV) in the sequence of bulk-terminated (100), (110), (111), and Pt-segregated (111) may explain the observed dependence of catalytic activity on surface orientation. Our d-band center calculation suggests that an observed enhanced catalytic activity of a $Pt_3Ni$(111) surface originates from the Pt-segregation.

• EDISON SW 활용 경진대회 논문집
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• 제2회(2013년)
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• pp.256-259
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• 2013

We investigate co-doping effects of conjugated P-N B-N with increasing of N concentration in the graphene sheets using a first principles based on the density functional theory. N doping sites of the graphene consider two possible sites (pyridinic and porphyrin-like). Energy calculation shows that additional doping of B atom in the porphyrin-like N doped graphene ($V+B-N_x$) is hard to form. At the low chemical potential of N, one N atom with additional doping in the graphene ($V+P-N_1$, $P/B-N_1$) has low formation energy on the other hand at high chemical potential of N, high concentration of N ($V+P-N_4$, $P/B-N_3$) in the graphene is governing conformation. From the results of electronic band structure calculation, it is found that $V+P-N_4$ and $P/B-N_3$ cases change the Fermi energy therefore type change is occurred. On the other hand, the cases of $V+P-N_1$ and N+B recover the electronic structure of pristine graphene.

• EDISON SW 활용 경진대회 논문집
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• 제5회(2016년)
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• pp.288-291
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• 2016

Recently, there has been a lot of researches related to two-dimensional (2D) materials due to their new properties and applications emerging upon 2D confinement. A new type of graphene like two-dimensional layer material, nitrogenated holey two-dimensional structure C2N-h2D, that is possession of evenly distributed holes and nitrogen atoms with proper bandgap has been synthesized. Previous calculation studies already have shown that the variance of the orbital interaction, band structure of few-layer C2N-h2D suggests that interlayer coupling does play an important role in its electronic properties. In this point, using first-principles density functional theory calculation, we here explore the effect of porous embedded iron atom and iron substrate on encapsulated few layer C2N-h2D. We show the atomic structures and the corresponding electronic structures of Fe@C2N to elucidate the effect of iron. Finally, this study demonstrates that embedded iron C2N has AA-stacking as most favorable stacked structure in contrast to pure C2N. In addition, iron substrate modifies its encapsulated C2N from semi-metallic states to metallic state.

• Journal of Korea Trade
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• 제25권1호
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• pp.89-111
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• 2021

Purpose - The U.S. Trade Preference Expansion Act (TPEA) of 2015 enables the US Department of Commerce (DOC) to inflate dumping margin when the particular market situation (PMS) exists in the exporter's home market. DOC applied PMS provisions to the steel products from Korea. This paper analyzes whether DOC's calculation by using the regression analysis is consistent with WTO rules. Design/methodology - This paper analyzes the PMS application in law and regression analysis that extends the data period from 10 years to 18 years using the same economic model with DOC, and changes the country group according to the quantities of steelmaking capacity. Findings - Results show that DOC's argument conflating the sales-based with cost-based PMS designed to inflate dumping margins might not be consistent with WTO Antidumping Agreement Article 2.2 and 2.2.1.1 in which costs shall normally be calculated on the basis of records kept by the exporter, providing generally accepted accounting principles and reasonably reflection of the costs and PMS that exists in the Korean steel product markets. Even if it will be consistent, DOC's calculated margin by the regression analysis using a 10-year data is a big gap (5 times) compared with an 18-year data projection and different countries' data through the same methodology, which is a huge gap of regression coefficient. It means that dumping margin would be very wide range from 7.8% to 38.54% and unstable to calculate. Inflating dumping margin by DOC using regression analysis would not only be inconsistent with WTO rules, but also projection result is unreliable. Originality/value - Literature papers have mainly analyzed WTO law itself. This paper however, would be the first attempt to analyze the DOC's new way of dumping margin calculation in both manners of law and an empirical methodology perspective at the same time.

• 한국포장학회지
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• 제12권1호
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• pp.45-53
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• 2006

Thermal insulation is used in a variety of applications to protect temperature sensitive products from thermal damage. Several factors affect the performance of insulation packages. Among these factors, the thermal resistance of the insulating wall is the most important factor to determine the performance of the insulating package. In many cases, insulating wall consists of multi-layered structure and the heat transfer through this structure is a very complex process. In this study, an one-dimensional mathematical model, which includes all of the heat transfer principles covering conduction, convection and radiation in multi-layered structure, were developed. Based on this model, several heat transfer phenomena occurred in the air space between the layer of the insulating wall were investigated. From the simulation results, it was observed that the heat transfer through the air space between the layer were dominated by conduction and radiation and the low emissivity of the surface of each solid layer of the wall can dramatically increase the thermal resistance of the wall. For practical use, an equation was derived for the calculation of the thermal resistance of a multi-layered wall.

• Bulletin of the Korean Chemical Society
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• 제20권8호
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• pp.910-916
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• 1999

A current interest in chemistry concerns traceability of analytical measurements to the International System of Units (SI) and the proper estimation of their uncertainties in accordance with the internationally agreed guide provided by the International Organization for Standardization (ISO). Isotope dilution mass spectrometry (IDMS) is regarded as a primary method, which make the measurement results traceable to SI units without significant empirical correction factors. Our laboratory, as the national standards institute of Korea, participated in an intercomparison of environmental analysis, pp'-DDE in corn oil, which was organized by the CCQM under supervision of the CIPM to test feasibility of IDMS as a primary method for the trace analysis of organic compounds. In this report, we provide basic equations used for the calculation of the concentration of the analyte in a sample and a precise description of the processes for the evaluation of the uncertainties of the measurement results. Also, we report the experimental conditions adopted to improve the accuracy of the IDMS measurement. The principles contained in ？？Guide to the Expression of Uncertainty in Measurement'' provided by ISO are followed for the uncertainty evaluation.

• 한국수학사학회지
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• 제27권6호
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• pp.409-419
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• 2014

In school mathematics, the logarithmic function is defined as the inverse function of an exponential function. And the natural logarithm is defined by the integral of the fractional function 1/x. But historically, Napier had already used the concept of logarithm in 1614 before the use of exponential function or integral. The calculation of the logarithm was a hard work. So mathematicians with arithmetic ability made the tables of values of logarithms and people used the tables for the estimation of data. In this paper, we first take a look at the mathematicians and mathematical principles related to the appearance and the developments of the logarithmic tables. And then we deal with the confusions between mathematicians, raised by the estimation data which were known as proportional parts or mean differences in common logarithmic tables.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1012-1012
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• 2001

The elegant early experiments of Herschel demonstrated that there is light after the visible spectrum in a region we call the near infrared (NIR). This was followed by the work which showed that the spectrum went further into what we call the mid infrared (MIR). The MIR has been used for many years as a qualitative and quantitative region to measure constituent values. The MIR region contains the fundamental vibrations which can be theoretically calculated from symmetry rules and harmonic oscillator equations. The NIR is not as straight forward because the region from 400-2500 nm does not contain any of the fundamental vibrations only combination bands and overtones. Over the past fifty years efforts to understand the NIR have largely been ignored while the quantitative aspects of the region have been utilized. This presentation will focus on the efforts to define terms for NIR, examine the calculation of combination bands and overtones and ways to interpret the spectra. The interpretation of the NIR has been aided greatly in recent years by the use of two dimensional spectroscopy which allows the correlation of bands in one spectral region with that of the NIR.

• 한국지반공학회:학술대회논문집
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• 한국지반공학회 1991년도 추계학술발표회 논문집 지반공학에서의 컴퓨터 활용 COMPUTER UTILIZATION IN GEOTECHNICAL ENGINEERING
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• pp.195-215
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• 1991

This report deals with the process of the finite element computation and the design of the particular example tunnel (the double track section tunnel for Line 5, 7, 8 of Seoul Subway). The finite element calculations are performed with the program MISES 3 was developed from Austria which have been used in Eroupe. The principles of mechanic and mathematic analysis for the program MISES 3 are based on "The Finite Element Method -3rd Edition" by O.C zienkiewicz. The calculations are approximate analysis method divide continuum into quadrilateral element and calculate deformation and stress, according to the force equations at the node of the element. On the calculation of under excavation, this is a very convenient method and able to calculate compounded structure with tunnel lining and surrounding materials. Although calculated under the same factor and conditions, the result is not same solution, according to the shape of mesh. Therefore , it is important that we collect the construction results of NATM on the spot and by comparing the results of the finite element method with the surveying results review the validity of analysis model.sis model.

• Structural Engineering and Mechanics
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• 제4권1호
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• pp.91-107
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• 1996

In Lagrangian mechanics, attention is directed at the body as it moves through space. Each body point is identified by the position it would have if the body were to occupy an arbitrary reference configuration. A result of this approach is that the analyst often describes the body by using quantities that may involve more than one configuration. This is particularly common in incremental calculations and in changes of the choice of reference configuration. With the rise of very powerful computing machinery, the popularity of numerical calculation has become great. Unfortunately, the mechanical theory has been evolved in a piecemeal fashion so that it has become a conglomeration of differently developed patches. The current work presents a unified development of the equilibrium principle. The starting point is the conservation of momentum. All details of configuration are shown. Finally, full dynamic and static forms are presented for total and incremental work.