• Corrosion Science and Technology
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• 제21권1호
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• pp.21-31
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• 2022

Potentiodynamic polarization, EIS measurements, quantum chemical calculations, and molecular dynamic simulations were used to investigate the corrosion behavior of mild steel in 0.5 M aqueous hydrochloric acid medium in the presence or absence of nystatin drug. Potentiodynamic tests suggested that this molecule could act as a mixed inhibitor due to its adsorption on the mild steel surface. The objective of this study was to exploit theoretical calculations to gain a better understanding mechanism of inhibition. Calculating the adsorption behavior of the investigated molecule on Fe (1 1 0) surface was accomplished using Monte Carlo simulation. Molecules were also investigated using Density Functional Theory (DFT), specifically PBE functional, in order to identify the link between molecular structure and corrosion inhibition behavior of the compound under investigation. Adsorption energies between nystatin and iron were estimated more accurately by utilizing Molecular Mechanics calculation with Periodic Boundary Conditions (PBC). Estimated theoretical parameters significantly assisted our understanding of the corrosion inhibition mechanism exhibited by this molecule. They were found to be in accord with experimental results.

• 전자공학회논문지D
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• 제35D권6호
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• pp.37-45
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• 1998

본 논문에서는 본 연구진이 개발 중인 INPROS 3차원 반도체 공정 시뮬레이터 시스템에 이온주입된 불순물의 과도 확산(TED, transient enhanced diffusion) 기능을 첨가하여 수행한 계산 결과를 발표한다. 실리콘 내부에 이온주입된 불순물의 재분포를 시뮬레이션하기 위하여, 먼저 몬테카를로 방법으로 이온주입 공정을 수행하였고, 유한요소법을 이용하여 확산 공정을 수행하였다. 저온 열처리 공정에서의 붕소의 과도 확산을 확인하기 위하여, 에피 성장된 붕소 에피층에 비소와 인을 이온 주입시킨 후, 750℃의 저온에서 2시간 동안 열처리 공정을 수행하였다. 3차원 INPROS 시뮬레이터의 결과와 실험적으로 측정한 SIMS 데이터와 그 결과가 일치함을 확인하였다. INPROS의 점결함 의존성 과도 증속 확산 모델과 소자 시뮬레이터인 PISCES를 이용하여 역 단채널 길이 효과(RSCE, reverse short channel effect)를 시뮬레이션하였다.

• Communications for Statistical Applications and Methods
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• 제15권4호
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• pp.563-585
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• 2008

본 연구는 다양하고 복잡해지는 파생상품 추세에 상응하는 적절한 가치평가에 대한 연구의 필요성을 인지하고 가격 및 민감도 평가에 있어서 속도와 정확도를 향상시키는데 그 의의를 두고자 한다. 몬테카를로 시뮬레이션에서 의사난수 대신 저불일치수열인준난수를 이용하면 시행횟수의 감소와 정확도 개선이 가능한데, 미국형 옵션이나 경로의존형 상품 등 다차원의 난수가 필요할 경우 기존의 준난수를 사용하면 상관관계가 증가하는 문제로 적용에 한계가 있다. 이런 단점을 보완하기 위해 문제를 발생시키는 차원의 난수를 제외시켜 상관계수를 특정값 이하로 제어하는 새로운 방법을 고안하여 다차원 상품에 적용이 가능토록 하였고 미국형 풋옵션에 적용하여 새로운 방법의 유용성을 검증하였다. 또한, 몬테카를로 시뮬레이션에서 민감도 계산방법으로 우도비율법과 경로의존형 근사방법을 사용하면 속도 및 정확도가 개선됨을 보인다. 이러한 결과는 최근 시장의 추세인 기초자산이나 위험요소가 여러 개인 경우 그리고 경로의존형 및 조기상환형 상품 등에 적용 가능토록하여 몬테카를로 시뮬레이션 방법에 있어 가장 큰 단점으로 지적되는 수행시간을 단축시키고 민감도 계산의 오차를 줄여줌을 보여준다. 또한, 2개 이하의 기초자산으로 이루어진 파생상품의 가치 및 민감도 평가에 가장 효율적인 수치해석적 방법론으로 알려져 있는 유한차분법의 적용시 격자생성구간의 설정이 매우 중요하다는 사실을 비대칭 나비형스프레드에 적용하여 실증적으로 보인다.

• Nuclear Engineering and Technology
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• 제48권2호
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• pp.330-338
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• 2016

The U-Zr or U-TRU-Zr cylindrical metallic fuel slug used in fast reactors is known to swell significantly and to grow during irradiation. In neutronics simulations of metallic-fueled fast reactors, it is assumed that the slug has swollen and contacted cladding, and the bonding sodium has been removed from the fuel region. In this research, a realistic burnup-dependent fuel-swelling simulation was performed using Monte Carlo code McCARD for a single-batch compact sodium-cooled breed-and-burn reactor by considering the fuel-swelling behavior reported from the irradiation test results in EBR-II. The impacts of the realistic burnup-dependent fuel swelling are identified in terms of the reactor neutronics performance, such as core lifetime, conversion ratio, axial power distribution, and local burnup distributions. It was found that axial fuel growth significantly deteriorated the neutron economy of a breed-and-burn reactor and consequently impaired its neutronics performance. The bonding sodium also impaired neutron economy, because it stayed longer in the blanket region until the fuel slug reached 2% burnup.

• 한국의학물리학회지:의학물리
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• 제32권4호
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• pp.122-129
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• 2021

Purpose: This study aimed to design a multipurpose dose verification phantom for external audits to secure safe and optimal radiation therapy. Methods: In this study, we used International Atomic Energy Agency (IAEA) LiF powder thermoluminescence dosimeter (TLD), which is generally used in the therapeutic radiation dose assurance project. The newly designed multipurpose phantom (MPP) consists of a container filled with water, a TLD holder, and two water-pressing covers. The size of the phantom was designed to be sufficient (30×30×30 cm³). The water container was filled with water and pressed with the cover for normal incidence to be fixed. The surface of the MPP was devised to maintain the same distance from the source at all times, even in the case of oblique incidence regardless of the water level. The MPP was irradiated with 6, 10, and 15 MV photon beams from Varian Linear Accelerator and measured by a 1.25 cm³ ionization chamber to get the correction factors. Monte Carlo (MC) simulation was also used to compare the measurements. Results: The result obtained by MC had a relatively high uncertainty of 1% at the dosimetry point, but it showed a correction factor value of 1.3% at the 5 cm point. The energy dependence was large at 6 MV and small at 15 MV. Various dosimetric parameters for external audits can be performed within an hour. Conclusions: The results allow an objective comparison of the quality assurance (QA) of individual hospitals. Therefore, this can be employed for external audits or QA systems in radiation therapy institutions.

• Structural Engineering and Mechanics
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• 제64권4호
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• pp.413-426
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• 2017

Probabilistic methods are used in engineering where a computational model contains random variables. The proposed method under development: Direct Optimized Probabilistic Calculation (DOProC) is highly efficient in terms of computation time and solution accuracy and is mostly faster than in case of other standard probabilistic methods. The novelty of the DOProC lies in an optimized numerical integration that easily handles both correlated and statistically independent random variables and does not require any simulation or approximation technique. DOProC is demonstrated by a collection of deliberately selected simple examples (i) to illustrate the efficiency of individual optimization levels and (ii) to verify it against other highly regarded probabilistic methods (e.g., Monte Carlo). Efficiency and other benefits of the proposed method are grounded on a comparative case study carried out using both the DOProC and MC techniques. The algorithm has been implemented in mentioned software applications, and has been used effectively several times in solving probabilistic tasks and in probabilistic reliability assessment of structures. The article summarizes the principles of this method and demonstrates its basic possibilities on simple examples. The paper presents unpublished details of probabilistic computations based on this method, including a reliability assessment, which provides the user with the probability of failure affected by statistically dependent input random variables. The study also mentions the potential of the optimization procedures under development, including an analysis of their effectiveness on the example of the reliability assessment of a slender column.

• Nuclear Engineering and Technology
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• 제55권8호
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• pp.3030-3038
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• 2023

Nowadays, mobile robots have been used to search for uncontrolled radioactive source in indoor environments to avoid radiation exposure for technicians. However, in the indoor environments, especially in the presence of obstacles, how to make the robots with limited sensing capabilities automatically search for the radioactive source remains a major challenge. Also, the source search efficiency of robots needs to be further improved to meet practical scenarios such as limited exploration time. This paper proposes an automatic source search strategy, abbreviated as ACA: the location of source is estimated by a convolutional neural network (CNN), and the path is planned by the A-star algorithm. First, the search area is represented as an occupancy grid map. Then, the radiation dose distribution of the radioactive source in the occupancy grid map is obtained by Monte Carlo (MC) method simulation, and multiple sets of radiation data are collected through the eight neighborhood self-avoiding random walk (ENSAW) algorithm as the radiation data set. Further, the radiation data set is fed into the designed CNN architecture to train the network model in advance. When the searcher enters the search area where the radioactive source exists, the location of source is estimated by the network model and the search path is planned by the A-star algorithm, and this process is iterated continuously until the searcher reaches the location of radioactive source. The experimental results show that the average number of radiometric measurements and the average number of moving steps of the ACA algorithm are only 2.1% and 33.2% of those of the gradient search (GS) algorithm in the indoor environment without obstacles. In the indoor environment shielded by concrete walls, the GS algorithm fails to search for the source, while the ACA algorithm successfully searches for the source with fewer moving steps and sparse radiometric data.

• 한국진공학회:학술대회논문집
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• 한국진공학회 1998년도 제14회 학술발표회 논문개요집
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• pp.20-20
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• 1998

I Ion beam technology has recently attracted much interest because it has exciting t technological p아:ential for surface analysis, ion beam mixing, surface cleaning and etching i in thin film growth and semiconductor fabrication processes, etc. Es야~cially, ion beam s sputtering has been widely used for sputter depth profiling with x-photoelectron S spectroscopy (XPS) , Auger electron s$\pi$~troscopy(AES), and secondary-ion mass S야i따oscopy(SIMS). However, The problem of surface compositional ch없1ge due to ion b bombardment remains to be understo여 없ld solved. So far sputtering processes have been s studied by s따face an외ysis tools such as XPS, AES, and SIMS which use the sputtering p process again. It would be improbable to measure the modified surface composition profiles a accurately due to ion beam bombardment with surface analysis techniques based on sputter d depth profiling. However, recently Medium energy ion scattering spectroscopy(MEIS) has b been applied to study the sputtering of solid surface at ion bombardment and has been p proved that it has been extremely valuable in probing the surface composition 뻐d s structure nondestructively and quantita디vely with less than 1.0 nm depth resolution. To u understand the sputtering processes of solid surface at ion bombardment, The Molecular D Dynamics(MD) and Monte Carlo(MC) simulation has been used and give an intimate i insight into the sputtering processes of solid surfaces. In this presentation, the sputtering processes of alloys and compound samples at ion b bombardment will be reviewed and the MEIS results for the Ar+ sputter induced altered l layer of the TazOs thin film 뻐dd없nage profiling of Ar+ ion sputt얹"ed Si(100) surface will b be discussed with the results of MD and MC simulation.tion.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 1999년도 춘계학술대회 논문집
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• pp.617-620
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• 1999

In this study, the polarization e(fecal and the birefringence effect of amorphous germanium (a-Ge) thin films were investigated by using linearly polarized He-Ne laser beam. The a-7e thin films were deposited on the quarts substrate by plasma enhanced chemical vapor deposition (PECVD) and thermal vacuum evaporation In order to obtain the optimum grating arrays, inorganci resists such as Si$_3$N$_4$ and a-Se$_{75}$ Ge$_{25}$ , were prepared with the optimized thickness by Monte Carlo (MC) simulation. As the results of MC simulation, the thickness ofa-Se$_{75}$ Ge$_{25}$ resist was determined with Z$_{min}$ of 360$\AA$ . The resists were exposed to Ga$^{+}$-FIB with accelerating energies of 50 keV, developed by wet etching, and a-Ge thin film was etched by reactive ion-etching (RIE). Finally, we were obtained grating arrays which grating width and linewidth are 0.8${\mu}{\textrm}{m}$, respectively and we studied the polarization and birefringence effect in transmission grating array made of high refractive amorphous material, and the applicability as waveplates and polarizers in optical device.e.e.

• 한국의학물리학회지:의학물리
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• 제16권2호
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• pp.104-109
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• 2005

암치료에 사용되고 있는 광역학 치료는 환자에게 광민감제를 투여하고 다이오드 레이저(630 nm)를 조사하여 생성되는 단일상태 산소와 자유 라디칼에 의해 암조직을 괴사시키는 치료방법이다. 현재 광역학 치료의 문제점은 부피가 큰 종양이나 고형암에서는 빛이 종양전체를 투과할 수 없으므로 광역학 치료의 효과가 떨어지는 것이다. 따라서 이 문제를 해결하기 위하여 간질성 광역학 치료법을 개발하고자 한다. 생체조직내의 정확한 광선량 측정이 간질성광역학치료의 효과에 매우 중요한 영향을 주므로, 실험 연구에 사용된 계수는 실제 생체조직의 광학 계수이다. 생체조직 대부분은 가시광선영역에서 큰 산란계수를 가지며, 투과 깊이에 많은 영향을 미치는 것으로 확인되었다. 가시영역에서의 인체조직의 투과깊이는 약 $15\~20mm$이었다. 몬테칼로 시뮬레이션(Monte Carlo simulation)을 이용하여 생체조직내의 광전파, 광선량, 에너지율, 투과깊이를 잘 측정할 수 있음을 알았다. 그리고 이 시뮬레이션 결과를 가지고 고형암에 간질성 광역학 치료를 하여 치료효과를 확인하였다.