• Bulletin of the Korean Chemical Society
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• 제21권5호
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• pp.503-509
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• 2000

The solvent effects on the relative free energies of solvation and the difference in partition coefficients (log P) for $Rb^+$ to $K^+$ mutation in several solvents have been investigated using Monte Carlo simulation (MCS) of statistical perturbation theory(SPT). In comparing the relative free energies for interconversion of one ion pair, $Rb^+$ to $K^+$, in $H_2O$(TIP4P) in this study with the relative free energies of the computer simulations and the experimental, we found that the figure in this study with the relative free energies of the computert simulations and the experimental, we found that the figure in this study is $-5.00\pm0.11$ kcal/mol and those of the computer simulations are $-5.40\pm1.9$, -5.5, and -5.4 kcal/mol. The experimental is -5.1 kcal/mol. There is good agreement among various studies, taking into account both methods used to obtain the hydration free energies and standard deviations. There is also good agreement between the calculated structural properties of this study and the simulations, ab initio and the experimental results. We have explained the deviation of the relationship between the free energy difference and the Onsager dielectric function of solvents by the electron pair donor properties of the solvents. For the $Rb^+$ and $K^+$ ion pair, the Onsager dielectric function of solvents (or solvent permittivity), donor number of solvent and the differences in solvation dominate the differences in the relative free energies of solvation and partition coefficients.

• 한국방사선학회논문지
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• 제13권2호
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• pp.241-246
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• 2019

4차 산업혁명의 기술 중 3D 프린팅 기술의 소재에 따른 선량평가를 통해 볼루스 적용 가능성을 평가하였다. 선량의 평가는 몬테카를로 방식의 MCNPX프로그램을 이용하였으며, 3D 프린트 물성은 ABS, PC, PLA 세 가지로 하였다. 그리하여 볼루스 10 mm와 동일한 효과를 보이는 두께를 산정한 결과 6 MeV 전자선의 경우 ABS 10 mm, PC 9 mm, PLA 9 mm로 나타났다. 6 MV X-선의 경우 ABS 11 mm, PC 10 mm, PLA 9 mm로 나타났다. 본 실험을 통해 3D 프린터 소재로 제작하는 조직등가물질이 볼루스를 대체할 수 있음을 확인할 수 있었다.

• 천문학회지
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• 제56권1호
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• pp.23-33
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• 2023

We investigate the diffusion process of Thomson-scattered line photons in both real space and frequency space through a Monte Carlo approach. The emission source is assumed to be monochromatic and point-like embedded at the center of a free electron region in the form of a sphere and a slab. In the case of a spherical region, the line profiles emergent at a location of Thomson optical depth τ_Th from the source exhibit the full width of the half maximum σ_λ ≃ τ^1.5_Th. In the slab case, we focus on the polarization behavior where the polarization direction flips from the normal direction of the slab to the parallel as the slab optical depth τ_Th increases from τ_Th ≪ 1 to τ_Th ≫ 1. We propose that the polarization flip to the parallel direction to the slab surface in optically thick slabs is attributed to the robustness of the Stokes parameter Q along the vertical axis with respect to the observer's line of sight whereas randomization dominates the remaining region as τ_Th increases. A brief discussion on the importance of our study is presented.

• 대한전기학회:학술대회논문집
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• 대한전기학회 2007년도 학술대회 논문집 전문대학교육위원
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• pp.155-159
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• 2007

This paper calculates and gives the analysis of electron swarm transport coefficients as described electric conductive characteristics of pure Ar, pure $SiH_4$, $Ar-SiH_4$ mixture gases ($SiH_4$--0.5%, 2.5%, 5%) over the range of E/N =$0.01{\sim}300$[Td], P=0.1, 1, 5.0[Torr] by Monte Carlo the Backward prolongation method of the Boltzmann equation using computer simulation without using expensive equipment. The results have been obtained by using the electron collision cross sections by TOF, PT SST sampling, compared with the experimental data determined by the other author. It also proved the reliability of the electron collision cross sections and shows the practical values of computer simulation.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2012년도 제42회 동계 정기 학술대회 초록집
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• pp.528-528
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• 2012

Recently, atmospheric pressure plasmas attract lots of interests for the useful applications such as surface modification and bio-medical treatment. In this study, a particle-in-cell Monte Carlo collision (PIC-MCC) simulation was adopted to investigate the discharge characteristics of a planar micro dielectric barrier discharge (DBD) with a driving frequency from 13.56 MHz to 162.72 MHz and with a gap distance of 80 micrometers. The variation of frequency, in the change in the electron energy probability function (EEPF). Through the relation between the ion trajectories and the frequency, results in the change of EEPFs is achievable with the turning point of frequency mode. Therefore, it is possible to categorize the efficient operation range of DBDs for its applications by controlling the interactions between plasmas and neutral gas for the generation of preferable radicals.

• 대한의용생체공학회:의공학회지
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• 제25권2호
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• pp.89-95
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• 2004

세기조절방사선치료(IMRT)에서는 일반적인 방사선 치료에서 사용되는 조사면에 비해 비교적 작은 크기의 빔조각(beamlet)을 사용하여 방사선의 세기를 조절하는 새로운 치료법으로 이에 대한 비균질 효과는 많은 연구가 필요하다. 우리는 기하학적으로 일정한 비균질 팬텀들에서 몬테카를로 시뮬레이션에 의한 선량값을 라디오크로믹 필름에 의한 선량값과 회선/중첩 방법에 의한 선량 계산 값과 서로 비교하였다. 몬테 카를로 모사를 위하여 EGS4 코드 기반의 BEAM 코드를 사용하였으며 이를 이용하여 Varian 2300C/D 선형가속기의 두부를 호사하였다. 측정과 모사에 사용된 조사면은 1${\times}$1$\textrm{cm}^2$, 2${\times}$2$\textrm{cm}^2$, 그리고 5${\times}$5$\textrm{cm}^2$이었다. 또한 팬텀의 물질은 솔리드 워터, 폐 등가 물질, 뼈 등가 물질을 사용하여 세 경우의 비극질 팬텀들을 설정하여 방사선을 조사하였다. 회선/중첩 방법과 몬테 카를로 방법에 의한 선량 계산치는 광자 측면선량의 경우 $\pm$1 mm, 깊이선량의 경우 $\pm$2% 이내로 선량측정치와 잘 일치함을 볼 수 있었다. 결론적으로 회선/중첩 방법과 몬테 카를로 방법이 소조사면에서도 필름 측정 데이터와 잘 일치함을 확인할 수 있었다.

• 전자공학회논문지A
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• 제33A권11호
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• pp.112-119
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• 1996

Impact ionization model in GaAs has been presented by modified keldysh formula with two sets of power exponent of 7.8 and 5.6 in study. Impact ionization rate is derived from fermil's golden rule and ful lenergy band stucture based on empirical pseudopotential method. Impact ionization rates show anisotropic property in low energy region (<3eV), but isotropic in high energy region (3>eV). Full band monte calo simulator is coded for investigating the validity of the GaAs impact ionization model, and validity is checked by comparing impact ionization coefficients with experimental values and ones in anisotropic model. Valley transitions to energy alteration are explained by investigating electron motion in brillouin zone for full band model to electric field variation.

• 한국의학물리학회지:의학물리
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• 제7권1호
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• pp.9-17
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• 1996

방사선 측정기로 사용되는 원통형 전리함의 위치별 반응 함수를 좁은 방사선장에서 측정하였다. 광자선 에너지 4MV, 6MV, 15MV, 전리함 내경 0.5cm～3.05cm 인 전리함들에 대하여 방사선면의 크기를 0.2$\times$20$\textrm{cm}^2$로 하여 물속 10cm 깊이에서 전리함 반응함수를 측정하였다. 좁은 방사선면의 선량분포 profile 을 EGS4(Electron Gamma Shower 4) 몬테카를로 시뮬레이션 코드를 이용하여 계산하였고, 이 결과를 측정된 전리함의 반응 함수 값에서 되겹말림 (deconvolution) 기법으로 제거하여 순수하게 $\delta$함수 모양의 방사선장으로부터 측정된 반응함수로 보정하였다. 전리함 반응함수는 보정전에는 에너지에 따라 다르게 나타났으나 EGS4 계산으로 얻어진 선량분포 프로파일 (profile)을 보정한 결과 전리함 반응 함수는 에너지와 무관한 것으로 나타났다.

• Journal of Radiation Protection and Research
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• 제48권1호
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• pp.44-51
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• 2023

Background: Aptamers are currently being used in various fields including medical treatments due to their characteristics of selectively binding to specific molecules. Due to their special characteristics, the aptamers are expected to be used to remove radionuclides from a large amount of liquid radioactive waste generated during the decommissioning of nuclear power plants. The radiological effects on the aptamers should be evaluated to ensure their integrity for the application of a radionuclide removal technique. Materials and Methods: In this study, Monte Carlo N-Particle transport code version 6 (MCNP6) and Monte Carlo damage simulation (MCDS) codes were employed to evaluate the radiological effects on the aptamers. MCNP6 was used to evaluate the secondary electron spectrum and the absorbed dose in a medium. MCDS was used to calculate the DNA damage by using the secondary electron spectrum and the absorbed dose. Binding experiments were conducted to indirectly verify the results derived by MCNP6 and MCDS calculations. Results and Discussion: Damage yields of about 5.00×10^-4 were calculated for 100 bp aptamer due to the radiation dose of 1 Gy. In experiments with radioactive materials, the results that the removal rate of the radioactive ⁶⁰Co by the aptamer is the same with the non-radioactive ⁵⁹Co prove the accuracy of the previous DNA damage calculation. Conclusion: The evaluation results suggest that only very small fraction of significant number of the aptamers will be damaged by the radioactive materials in the liquid radioactive waste.

• 한국의학물리학회지:의학물리
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• 제33권4호
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• pp.150-157
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• 2022

Purpose: Elekta synergy^® was commissioned in the Seoul National University Veterinary Medical Teaching Hospital. Recently, Chung-Ang University Gwang Myeong Hospital commissioned Elekta Versa HD^TM. The beam characteristics of both machines are similar because of the same Agility^TM MLC Model. We compared measured beam data calculated using the Elekta treatment planning system, Monaco^®, for each institute. Methods: Beam of the commissioning Elekta linear accelerator were measured in two independent institutes. After installing the beam model based on the measured beam data into the Monaco^®, Monte Carlo (MC) simulation data were generated, mimicking the beam data in a virtual water phantom. Measured beam data were compared with the calculated data, and their similarity was quantitatively evaluated by the gamma analysis. Results: We compared the percent depth dose (PDD) and off-axis profiles of 6 MV photon and 6 MeV electron beams with MC calculation. With a 3%/3 mm gamma criterion, the photon PDD and profiles showed 100% gamma passing rates except for one inplane profile at 10 cm depth from VMTH. Gamma analysis of the measured photon beam off-axis profiles between the two institutes showed 100% agreement. The electron beams also indicated 100% agreement in PDD distributions. However, the gamma passing rates of the off-axis profiles were 91%-100% with a 3%/3 mm gamma criterion. Conclusions: The beam and their comparison with MC calculation for each institute showed good performance. Although the measuring tools were orthogonal, no significant difference was found.