• Nonlinear Functional Analysis and Applications
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• 제28권1호
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• pp.11-36
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• 2023

In this presentation, the particles at the matter surface (metal, crystal, nano) will be considered as the control target outside the physical domain. As is well known that control problems of quantum particles at surface had been investigated in various aspects in last couple of years, but the realization of control would become rather difficult than theoretical results. Especially, whether surface control would be valid? what kind of particles at what kind of matter surfaces can be controlled? so many questions still left as the mystery in the current research literature and papers. It means that the direct control sometime does not easy. On the other hands, control outside the physical domain is quite a interest consideration in mathematics, physics and chemistry. The main plan is to take the quantum systems operator (such as Laplacian ∆) in the form of fractional operator (∆^s , 0 < s < 1), then to consider the control outside of physical domain. Fortunately, there are many published articles in the field of applied mathematics can be referred for the achievement of control outside of domain. The external quantum control would be a fresh concept to do the physical control, first in the theoretic, second in the computational, final in the experimental issues.

• Journal of applied mathematics & informatics
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• 제40권1_2호
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• pp.351-370
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• 2022

The design of mechanical structures aims to meet criteria, together with the safety of operators and lives in the vicinity of the equipment. Thus, there are several cases that meeting the desired specification causes the mechanical device to perform unstable and, sometimes, chaotic behavior. In these cases, control methods are applied in order to stabilize the device when in operation, aiming at the physical integrity of the component and the device operators. In this work, we will develop a study about the influence of a controller applied in a non-ideal capsule system operating with uncertain parameters, being non-existent in the literature. For this, two initial conditions were used: one that the capsule starts from rest and another that it is already in motion. Thus, the effectiveness of the controller can be assessed in both initial conditions, restricting the movement of the internal vibration-impact system to the capsule.

• Journal of applied mathematics & informatics
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• 제41권6호
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• pp.1257-1274
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• 2023

Rotating machines heavily rely on an intricate network of interconnected sub-components, with bearing failures accounting for a substantial proportion (40% to 90%) of all such failures. To address this issue, intelligent algorithms have been developed to evaluate vibrational signals and accurately detect faults, thereby reducing the reliance on expert knowledge and lowering maintenance costs. Within the field of machine learning, Artificial Immune Systems (AIS) have exhibited notable potential, with applications ranging from malware detection in computer systems to fault detection in bearings, which is the primary focus of this study. In pursuit of this objective, we propose a novel procedure for detecting novel instances of anomalies in varying operating conditions, utilizing only the signals derived from the healthy state of the analyzed machine. Our approach incorporates AIS augmented by Dynamic Time Warping (DTW). The experimental outcomes demonstrate that the AIS-DTW method yields a considerable improvement in anomaly detection rates (up to 53.83%) compared to the conventional AIS. In summary, our findings indicate that our method represents a significant advancement in enhancing the resilience of AIS-based novelty detection, thereby bolstering the reliability of rotating machines and reducing the need for expertise in bearing fault detection.

• Steel and Composite Structures
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• 제52권1호
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• pp.45-56
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• 2024

This paper proposes an analytical solution for the free vibration, bending and buckling a functionally graded (FG) beam resting on viscoelastic foundation. The materials characteristics of the FG beam are considered to be varying across the thickness according several power law functions. The governing equations are found analytically using a quasi-3D model that contains undetermined integral forms and involves few unknowns to derive. Navier's method for simply supported beam is employed to solve the problem. Numerical examples are presented and studied to demonstrate the accuracy and effectiveness of the proposed model. Then, a detailed parametric study is presented in the form of tables and graphs to study and analyze the effects of the different parameters on the response of FG beams with different material compositions resting on a viscoelastic foundation.

• 대한화학회지
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• 제66권3호
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• pp.185-193
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• 2022

본 연구에서는 tetrazine과 oxadiazole 등의 질소가 많이 함유되어 있는 헤테로 고리화합물을 가진 음이온과 NH₂OH, NH₂NH₂, CH₈N₆, C₂H₅N₅ 등의 양이온들과의 이온 결합을 통하여 생성된 에너지 염(energetic salts)에 대하여 열역학적 안정성, 밀도, 그리고 폭발 성능 등을 밀도 범함수 이론(dentisy functional theory, DFT)을 이용하여 계산하고 기존의 고성능 에너지 물질들과 비교하였다. 분자 구조 최적화 및 안정화 에너지는 B3LYP/cc-pVDZ 이론 수준에서 그리고 엔탈피 계산은 G2MP2 이론 수준에서 계산하였으며 폭발 성능은 Kamlet-Jacobs 방정식을 통하여 계산하였다. 결과적으로 크기가 작은 NH₃OH⁺(1)와 NH₂NH₃⁺(2) 양이온을 활용한 에너지 염은 폭발 성능 향상에 도움이 되며, 상대적으로 아미노기(-NH₂)가 많은 CH₉N₆⁺(3) 양이온은 안정성을 높이는데 효과적일 것으로 예측되었다.

• 한국생물정보학회:학술대회논문집
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• 한국생물정보시스템생물학회 2005년도 BIOINFO 2005
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• pp.267-271
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• 2005

The goal of data mining is to extract new and useful knowledge from large scale datasets. As the amount of available data grows explosively, it became vitally important to develop faster data mining algorithms for various types of data. Recently, an interest in developing data mining algorithms that operate on graphs has been increased. Especially, mining frequent patterns from structured data such as graphs has been concerned by many research groups. A graph is a highly adaptable representation scheme that used in many domains including chemistry, bioinformatics and physics. For example, the chemical structure of a given substance can be modelled by an undirected labelled graph in which each node corresponds to an atom and each edge corresponds to a chemical bond between atoms. Internet can also be modelled as a directed graph in which each node corresponds to an web site and each edge corresponds to a hypertext link between web sites. Notably in bioinformatics area, various kinds of newly discovered data such as gene regulation networks or protein interaction networks could be modelled as graphs. There have been a number of attempts to find useful knowledge from these graph structured data. One of the most powerful analysis tool for graph structured data is frequent subgraph analysis. Recurring patterns in graph data can provide incomparable insights into that graph data. However, to find recurring subgraphs is extremely expensive in computational side. At the core of the problem, there are two computationally challenging problems. 1) Subgraph isomorphism and 2) Enumeration of subgraphs. Problems related to the former are subgraph isomorphism problem (Is graph A contains graph B?) and graph isomorphism problem(Are two graphs A and B the same or not?). Even these simplified versions of the subgraph mining problem are known to be NP-complete or Polymorphism-complete and no polynomial time algorithm has been existed so far. The later is also a difficult problem. We should generate all of 2$^n$ subgraphs if there is no constraint where n is the number of vertices of the input graph. In order to find frequent subgraphs from larger graph database, it is essential to give appropriate constraint to the subgraphs to find. Most of the current approaches are focus on the frequencies of a subgraph: the higher the frequency of a graph is, the more attentions should be given to that graph. Recently, several algorithms which use level by level approaches to find frequent subgraphs have been developed. Some of the recently emerging applications suggest that other constraints such as connectivity also could be useful in mining subgraphs : more strongly connected parts of a graph are more informative. If we restrict the set of subgraphs to mine to more strongly connected parts, its computational complexity could be decreased significantly. In this paper, we present an efficient algorithm to mine frequent subgraphs that are more strongly connected. Experimental study shows that the algorithm is scaling to larger graphs which have more than ten thousand vertices.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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• pp.221-221
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• 2014

The present work proposes an improved numerical simulator for design and modification of large area capacitively coupled plasma (CCP) processing chamber. CCP, as notoriously well-known, demands the tremendously huge computational cost for carrying out transient analyses in realistic multi-dimensional models, because electron dissociations take place in a much smaller time scale (${\Delta}t{\approx}10-8{\sim}10-10$) than time scale of those happened between neutrals (${\Delta}t{\approx}10-1{\sim}10-3$), due to the rf drive frequencies of external electric field. And also, for spatial discretization of electron flux (Je), exponential scheme such as Scharfetter-Gummel method needs to be used in order to alleviate the numerical stiffness and resolve exponential change of spatial distribution of electron temperature (Te) and electron number density (Ne) in the vicinity of electrodes. Due to such computational intractability, it is prohibited to simulate CCP deposition in a three-dimension within acceptable calculation runtimes (<24 h). Under the situation where process conditions require thickness non-uniformity below 5%, however, detailed flow features of reactive gases induced from three-dimensional geometric effects such as gas distribution through the perforated plates (showerhead) should be considered. Without considering plasma chemistry, we therefore simulated flow, temperature and species fields in three-dimensional geometry first, and then, based on that data, boundary conditions of two-dimensional plasma discharge model are set. In the particular case of SiH4-NH3-N2-He CCP discharge to produce deposition of SiNxHy thin film, a cylindrical showerhead electrode reactor was studied by numerical modeling of mass, momentum and energy transports for charged particles in an axi-symmetric geometry. By solving transport equations of electron and radicals simultaneously, we observed that the way how source gases are consumed in the non-isothermal flow field and such consequences on active species production were outlined as playing the leading parts in the processes. As an example of application of the model for the prediction of the deposited thickness uniformity in a 300 mm wafer plasma processing chamber, the results were compared with the experimentally measured deposition profiles along the radius of the wafer varying inter-electrode gap. The simulation results were in good agreement with experimental data.

• 공업화학
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• 제29권5호
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• pp.510-518
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• 2018

최근에 반도체 산업의 지속적인 발전에 따라 반도체 생산공정에서 발생하는 다양한 오염가스를 처리하는 기술에 대한 관심도 늘어나고 있다. 이처럼 반도체 공정 후 배출되는 폐가스를 제거하는 장치 중의 하나로서 다양한 종류의 스크러버 시스템이 사용되고 있다. 이러한 스크러버 시스템 내 열분해반응기 성능은 폐가스 내 오염원 제거효율과 전반적인 운전안정성에 영향을 미치기 때문에 열분해 반응기의 효율적인 설계가 매우 중요하다. 본 연구에서는 수치해석 방법을 기반으로 반응기 내 폐가스의 열유동 특성을 파악하고자 하였다. 해석기법을 검증하기 위해 온도분포에 대한 해석결과를 실험결과와 비교하였다. 온도결과에 대한 해석과 실험은 약 1.27~2.25% 수준의 낮은 오차를 보였으며 이를 통해 해석결과의 타당성을 확보하였다. 검증된 해석기법을 이용하여, 기존 반응기의 성능개선을 위한 설계 가이드라인을 제시하기 위해 폐가스 형상 변화에 따른 해석을 수행하여 기존모델 및 수정모델에서 폐가스의 거동특성을 비교분석하였다. 본 연구에서 수행한 결과는 다양한 스크러버 시스템 내 열유동 특성을 분석하는데 기초자료로 활용될 수 있을 것으로 기대한다.

• 한국정보과학회논문지:데이타베이스
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• 제31권6호
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• pp.641-649
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• 2004

약물의 화학적 구조와 그 약물의 약리작용간의 연관성은, 'Medicinal Chemistry' 분야에서 활발히 연구된다. 이는 화학구조를 기반으로 하여 신약을 설계하려는 시도로서, 약학자는 신약 개발 시 만들고자 하는 약물과 비슷한 화학구조를 가지고 있는 기존 약물들에는 어떠한 것들이 있는지 조사하며, 특정 화학구조가 어떤 약물들에서 나타나는지 신속히 검색하기를 원한다. 이처럼 어떤 화차구조에서, 특정한 부분구조가 존재하는지를 검사하는 것을 부분구조검색(Substructure Searching)이라 하며, 이는 그래프 이론에서 NP-complete인 동형성 판정(Subgraph Isomorphism) 문제로 귀결된다. 검색 시간을 단축시키고자 여러 다른 전근방법들이 연구되었는데, 1990년대에는 구조에 대한 인덱스를 미리 만들어 RDBMS에 저장한 후, 검색시 이론 이용하여 성능을 높이는 방법으로 미국 특허를 획득한 RS3 시스템(http://www.acelrys.com/rs3)이 현재 상용화되어 쓰이고 있다. 본 논문에서는 RS3 시스템의 문제점을 규명하고, 이의 개선방안으로서 새로운 인덱스를 제안한다 RS3 시스템은 각 원자를 중심으로 다른 원자와의 구조를 문자연로 표현하고, 부분구조검색 쿼리를 부분문자열 검색을 실행함으로써 수행하는데, 이의 화학구조를 기술하는 인덱스에는 동일 원자, 동릴 결합에 대한 정렬이 불가능하여 재현율(Recall)과 정도(Precision)가 낮다. 이론 개선하기 위하여 본 논문에서는 2차원의 화학구조를 나누어 1차원의 구조 단편으로 만들고 이를 문자열로 기술하는 방안을 제시하며 구체적인 방법으로 한 인자를 중심으로 최소비용신장트리를 구성한 다음 레벨별로 경로를 나누어 기술하는 방안을 제안하며, 이와 같은 방법의 새로운 인덱스로 재현율과 정도가 급격히 향상됨을 보인다.

• 공업화학
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• 제32권6호
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• pp.613-620
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• 2021

고분자전해질 연료전지의 유로 형상은 내부 유동의 균일성에 영향을 주는 변수이다. 유로 내에서 반응물 분포가 균일하지 않을 경우, 지속적인 운전 과정에서 촉매의 열화 및 고분자 막의 기계적 손상이 야기되며 연료전지의 내구 수명 저하로 이어진다. 연료전지에서 원활한 반응물 공급과 균일한 농도 분포를 위하여 유로 형상에 관한 연구들이 활발히 진행되고 있다. 유로의 배플은 유체의 강제 대류를 야기해 연료전지의 성능을 개선할 수 있고, 유로 중간에 새로운 반응물 공급 통로(서브 채널)를 만들어 반응물 농도 증가와 원활한 물 배출로 물질 전달 손실을 감소시킬 수 있다. 본 연구에서는 전산 유체 계산을 통하여 블록과 서브 채널을 적용한 유로가 연료전지의 전류밀도와 산소 농도에 미치는 영향을 분석하였다. 블록과 서브 채널이 유로에 구성되었을 때, 한계전류밀도가 증가하였고 블록 후단의 산소 농도가 회복되었다. 블록이 2개 이상 있을 때 블록 사이에 서브 채널을 배치할 경우 전류밀도 증가 폭이 더욱 커졌다. 또한 추가 공급되는 공기의 공급 위치에 따른 산소 농도를 분석하여 서브 채널이 블록 후단의 낮아진 산소 농도를 회복할 수 있었다.