• Bulletin of the Korean Chemical Society
• /
• 제12권6호
• /
• pp.635-643
• /
• 1991

The adsorption of methanethiol on a Ag(100) surface has been studied with Extended Huckel calculation in the cluster approximation of the substrate. Since it has been known that methanethiol is chemisorbed dissociatively on silver surface by rupture of S-H bond, the methanethiolate radical is taken as adsorbate. Of the various adsorption sites, the 4-fold hollow site is preferred. The methanethiolate radical is mainly adsorbed via its 2e orbital. The charge transfer from metal to this level leads to the C-S bond weakening, which is consistent with the red shift of C-S stretching mode in surface enhanced Raman (SER) spectrum.

• 한국자기학회지
• /
• 제5권5호
• /
• pp.376-379
• /
• 1995

Employing the muffin-tin-orbital theory combined with pseudo-potential concepts, we have evaluated hybridization matrix elements between R and T sites in $RT_{2}$ compounds. The matrix elements are calculated with two parameters, the interatomic distance between R and T atoms from the crystal structure data, and the expectation values of the radial distances for the radial wave functions of the ground state charge densities, which are obtained from the linearized muffin-tin orbital band method within the local density approximation. It is found that the R 4f/T 3d hybridization matrix elements decrease with an increasing atomic number from R=Ce to Gd, and that they are smaller in $RNi_{2}$ than in $RCo_{2}$, which are consistent with trends observed in recent photoemission spectroscopy experiments. It is also found that the magnitudes of the hybridization matrix elements in $RFe_{2}$ are comparable to those in $RNi_{2}$.

• Communications for Statistical Applications and Methods
• /
• 제28권4호
• /
• pp.351-368
• /
• 2021

For a probabilistic model with positively skewed data, a lognormal distribution is one of the key distributions that play a critical role. Several lognormal models can be found in various areas, such as medical science, engineering, and finance. In this paper, we propose a new estimator for a lognormal mean and depict the performance of the proposed estimator in terms of the relative mean squared error (RMSE) compared with Shen's estimator (Shen et al., 2006), which is considered the best estimator among the existing methods. The proposed estimator includes a tuning parameter. By finding the optimal value of the tuning parameter, we can improve the average performance of the proposed estimator over the typical range of σ². The bias reduction of the proposed estimator tends to exceed the increased variance, and it results in a smaller RMSE than Shen's estimator. A numerical study reveals that the proposed estimator has performance comparable with Shen's estimator when σ² is small and exhibits a meaningful decrease in the RMSE under moderate and large σ² values.

• 대기
• /
• 제31권1호
• /
• pp.113-141
• /
• 2021

The impacts of ice clouds on the energy budget of the Earth and their representation in climate models have been identified as important and unsolved problems. Ice clouds consist almost exclusively of non-spherical ice crystals with various shapes and sizes. To determine the influences of ice clouds on solar and infrared radiation as required for remote sensing retrievals and numerical models, knowledge of scattering and microphysical properties of ice crystals is required. A conventional method for representing the radiative properties of ice clouds in satellite retrieval algorithms and numerical models is to combine measured microphysical properties of ice crystals from field campaigns and pre-calculated single-scattering libraries of different shapes and sizes of ice crystals, which depend heavily on microphysical and scattering properties of ice crystals. However, large discrepancies between theoretical calculations and observations of the radiative properties of ice clouds have been reported. Electron microscopy images of ice crystals grown in laboratories and captured by balloons show varying degrees of complex morphologies in sub-micron (e.g., surface roughness) and super-micron (e.g., inhomogeneous internal and external structures) scales that may cause these discrepancies. In this study, the current idealized models representing morphologies of ice crystals and the corresponding numerical methods (e.g., geometric optics, discrete dipole approximation, T-matrix, etc.) to calculate the single-scattering properties of ice crystals are reviewed. Current problems and difficulties in the calculations of the single-scattering properties of atmospheric ice crystals are addressed in terms of cloud microphysics. Future directions to develop physically consistent ice-crystal models are also discussed.

• Journal of Radiation Protection and Research
• /
• 제47권1호
• /
• pp.50-57
• /
• 2022

Background: There are several proton therapy facilities in operation or planned in Taiwan, and these facilities are anticipated to not only treat cancer but also provide beam services to the industry or academia. The simplified approach based on the Monte Carlo-based data sets (source terms and attenuation lengths) with the point-source line-of-sight approximation is friendly in the design stage of the proton therapy facilities because it is intuitive and easy to use. The purpose of this study is to expand the Monte Carlo-based data sets to allow the simplified approach to cover the application of proton beams more widely. Materials and Methods: In this work, the MCNP6 Monte Carlo code was used in three simulations to achieve the purpose, including the neutron yield calculation, Monte Carlo-based data sets generation, and dose assessment in simple cases to demonstrate the effectiveness of the generated data sets. Results and Discussion: The consistent comparison of the simplified approach and Monte Carlo simulation results show the effectiveness and advantage of applying the data set to a quick shielding design and conservative dose assessment for proton therapy facilities. Conclusion: This study has expanded the existing Monte Carlo-based data set to allow the simplified approach method to be used for dose assessment or shielding design for beam services in proton therapy facilities. It should be noted that the default model of the MCNP6 is no longer the Bertini model but the CEM (cascade-exciton model), therefore, the results of the simplified approach will be more conservative when it was used to do the double confirmation of the final shielding design.

• 대한전자공학회논문지SD
• /
• 제42권3호
• /
• pp.9-16
• /
• 2005

[ $Si_{1-x}Ge_x$ ] 위의 Si 반전층에서의 이동도를 반전층에서의 양자현상(버금띠 에너지와 파동함수)과 완화시간어림셈을 고려하여 계산하였다. 반전층에서의 양자현상은 슈뢰딩거 방정식과 포아슨 방정식을 자체 모순없이 계산하여 얻었다 완화시간은 밸리내 산란과 밸리사이 산란을 고려하여 계산하였다. 그 결과 Ge 함량이 증가됨에 따라 이동도가 증가되는 이유는 4-폴드 밸리에 존재하는 전자의 이동도보다 2-폴드 밸리에 존재하는 전자의 이동도가 약 3배 정도 크며 대부분의 전자가 밸리의 분리에 의해 2-폴드 밸리에 존재하기 때문이라는 것을 알 수 있었다. 한편, 포논 산란만을 고려한 이동도를 실험치와 일치시키기 위하여 전체 이동도에는 반전층 계면에서의 산란과 쿨롱 산란을 포함시켰다. 계산된 전계, 온도, 그리고 Ge 함량에 의존하는 이동도는 실험치와 근접하도록 변형포텐셜을 설정하였으며 정확한 결과를 위해서는 Si 에너지띠의 비포물성을 고려해야함을 확인하였다.

• Steel and Composite Structures
• /
• 제27권1호
• /
• pp.123-133
• /
• 2018

Steel-concrete-steel (SCS) sandwich composite structure with corrugated-strip connectors (CSC) has the potential to be used in buildings and offshore structures. In this structure, CSCs are used to bond steel face plates and concrete. To overcome executive problems, in the proposed system by the authors, shear connectors are one end welded as double skin composites. Hence, this system double skin with corrugated-strip connectors (DSCS) is named. In this paper, finite element model (FEM) of push-out test was presented for the basic component of DSCS. ABAQUS/Explicit solver in ABAQUS was used due to the geometrical complexity of the model, especially in the interaction of the shear connectors with concrete. In order that the explicit analysis has a quasi-static behavior with a proper approximation, the kinetic energy (ALLKE) did not exceed 5% to 10% of the internal energy (ALLIE) using mass-scaling. The FE analysis (FEA) was validated against those from the push-out tests in the previous work of the authors published in this journal. By comparing load-slip curves and failure modes, FEMs with suitable analysis speed were consistent with test results.

• 대한기계학회:학술대회논문집
• /
• 대한기계학회 2001년도 춘계학술대회논문집E
• /
• pp.410-415
• /
• 2001

An analytical and numerical examination of second-order fractional-step methods and boundary condition for the incompressible Navier-Stokes equations is presented. In this study, the compatibility condition for pressure Poisson equation and its boundary conditions, stability, and numerical accuracy of canonical fractional-step methods has been investigated. It has been found that satisfaction of compatibility condition depends on tentative velocity and pressure boundary condition, and that the compatible boundary conditions for type D method and approximately compatible boundary conditions for type P method are proper for divergence-free velocity for type D and approximately divergence-free for type P method. Instability of canonical fractional-step methods is induced by approximation of implicit viscous term with explicit terms, and the stability criteria have been founded with simple model problems and numerical experiments of cavity flow and Taylor vortex flow. The numerical accuracy of canonical fractional-step methods with its consistent boundary conditions shows second-order accuracy except $D_{MM}$ condition, which make approximately first-order accuracy due to weak coupling of boundary conditions.

• 천문학논총
• /
• 제10권1호
• /
• pp.15-30
• /
• 1995

It has been recognized that the morphologies of the SNRs from the radio observation are "barrel shaped". To interpret the mechanism of the radiation and the physical state of the environments, we have analytically calculated the dynamical structure of the interacting region in the case where the ejectum has a steep power-law density profile($\rho{\sim}r^{-n}$) and the ambient medium has a shallow power-law density profile($\rho{\sim}r^{-s}$), assuming that the cosmic rays are isotropically accelerated in the shock wave and the magnetic fields are very weak. The calculated synchrotron radio maps show that the emission from the equator is intense and the emissions from the central and polar regions are less intense. Also the thicknesses of the shell are strongly dependent on s and weakly on n. The azimuthal intensity ratio $\alpha$ increases as the efficiency of the cosmic ray acceleration increases and s decreases. We compared the results with the morphology of the SNR A. D. 1006(type I SNR). It does agree with the case of s = 0, w = 0.3 - 0.5. This value for w is consistent with the results by Eichler(1979). It provides us the evidence of the cosmic ray acceleration in the shock wave.

• 대한기계학회논문집
• /
• 제18권8호
• /
• pp.2113-2122
• /
• 1994

The 3-D FEM analysis for simulating the stamping operation of planar anisotropic sheet metals with arbitrarily-shaped tools is introduced. An implicit, incremental, updated Lagrangian formulation with a rigid-viscoplastic constitutive equation is employed. Contact and friction are considered through the mesh-normal, which compatibly describes arbitrary tool surfaces and FEM meshes without depending on the explicit spatial derivatives of tool surfaces. The consistent full set of governing relations, comprising equilibrium equation and mesh-normal geometric constraints, is appropriately linearized. The linear triangular elements are used for depicting the formed sheet, based on membrane approximation. Barlat's non-quadratic anisotropic yield criterion(strain-rate potential) is employed, whose in-plane anisotropic properties are taken into account with anisotropic coefficients and non-quadratic function parameter. The planar anisotropic finite element formulation is tested with the numerical simulations of the stamping of an automotive hood inner panel and the drawing of a hemispherical punch. The in-plane anisotropic effects on the formability of both mild steel and aluminum alloy sheet metals are examined.