• 한국의학물리학회지:의학물리
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• 제14권4호
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• pp.240-248
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• 2003

몬테칼로 계산은 다른 어떤 알고리즘보다 정확한 선량 계산 결과를 주지만 계산 시간이 오래 걸리는 단점이 있다. 본 연구에서는 Varian 600 C/D 선형가속기로부터지 6 MV 광자선에 대해 몬테칼로 계산을 사용하여 얻은 선량 분포가 측정에 의해 얻은 선량 분포와 2％ 이내에서 서로 잘 일치하도록 하며 분산 감소 기법을 사용하여 계산 시간 단축 정도를 평가하였다. 그리고 연산 능력을 높여 계산 시간 단축 정도를 평가하여 분산 감소 기법을 사용한 경우와 연산 능력을 높인 경우 간에 계산 시간 단축 정도를 비교하였다. 몬테칼로 계산 코드로는 빔 모사를 위해 BEAMnrc 코드, 선량 계산을 위해 DOSXYZnrc 코트를 각각 사용하였는데 분산 감소 기법은 이 코드들에서 지원하는 방법들을 사용하였고 연산 능력을 높이는 방법으로는 컴퓨터 클러스터를 이용한 병렬 처리를 사용하였다. 비교 결과, 분산 감소 기법을 사용하여 계산 시간을 최대 1/25 이상 단축시킬 수 있었고 9대의 컴퓨터를 이용한 병렬 처리 결과 계산 시간을 1/9로 단축시킬 수 있었다. 계산 곁과의 정확성을 만족할 만한 수준으로 유지할 수 있다면 분산감소 기법을 포함한 간략화된 물리의 적용은 현 시점에서 몬테칼로 선량 계산 시간을 획기적으로 단축시킬 대안이 될 수 있다.

• 한국의류산업학회지
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• 제18권1호
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• pp.91-102
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• 2016

This study classified the lower body types of female adults aged 18 to 69. The lower body was divided into front, lateral front, and lateral back. In order to understand the shape and somatotype of each segment, 592 people were analyzed based on girth, height, length, depth, width, angle and cross section distance for each segment. For data analysis, SPSS 18.0 was performed for descriptive statics, principal component analysis, K-means cluster analysis, ANOVA, and Duncan's test (as verification). Factor analysis was performed based on index values, calculation values, angles, and cross section distances. The measured items resulted in a.) 16 items were extracted to 5 factors in the case of the front factor (FF) of the lower body, and b.) 24 items were extracted to 6 factors in the case of lateral front factor (LFF) and lateral back factor (LBF). Each factor was put through K-means cluster analysis, classifying the lower bodies into one of four types of based on the front type (FT), the lateral front type (LFT), and the lateral back type (LBT) respectively. This study proposed an understanding of various lower body shapes by segmenting and classifying the lower body shapes for each type.

• 한국의류학회지
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• 제27권7호
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• pp.758-769
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• 2003

In this research, I classified adult women's back types through anthropometric measurement and photographic measurement to present a judging individual body size according to the type. Also, Ⅰ calculated regression fomula by types and presented the basic bodice pattern. The results were as follows: 1. The result of factor analysis indicated that 5 factors were extracted and those factors comprised 75.89% of total variance. 2. According to the cluster analysis, Ⅰclassified the back types into 6 types. Type 1 was passive posture in the upper and the lower parts of the back. Type 2 was active posture in the upper and the lower parts of the back. Type 3 had the lowest protrusion of the back. Type 4 had the upper part of the back which is mostly bent downward. Type 5 was the most suitable shape. Type 6 had the lower part of the back which was turned over the most. 3. Ⅰconducted a discriminant analysis to judge the body types of individuals. 4. For the calculation of measurements necessary for the basic bodice pattern, Ⅰpresented regression formulas by each type. 5. By conducting the wearing experiments, Ⅰsuccessfully made the final basic bodice patterns by types. As a result of comparative experiments between the basic bodice patterns and comparison bodice pattern, the suitability of basic bodice patterns were more highly assessed.

• Bulletin of the Korean Chemical Society
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• 제21권10호
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• pp.953-954
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• 2000

The equilibrium geometrical structures of silver atom clusters at their electronic ground states have been theo-retically determined by using the nonrelativistic semiempirical INDO/1 method. The clusters investigated are Agn, Agn+, and Agn- (n = 7 , 8, 9). In order to find the most stable structure, i.e., the global minimum in energy hypersurface, geometry optimization and energy calculation processes have been repeatedly performed for all the possible graphical models by changing the bond parameters (resonance integral values). The heptamers are pentagonal bipyramidal-Ag7(D5h), Ag7+ (D5h), Ag7- (D5h); the octamers are pentagonal bipyramidal with one atom capped-Ag8(D2d), Ag8+ (Cs), Ag8- (D2d); the nonamers are pentagonal bipyramidal with two atoms capped -Ag9(C2v), Ag9+ (C2v), Ag9- (C2v). Our structures are in good agreement with those by ab initio calculations ex-cept for the anionic Ag9- cluster. And it is noted that the INDO/1 method can accurately predict the Ag cluster geometries when a proper set of bond parameters is used.

• Korean Chemical Engineering Research
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• 제56권6호
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• pp.909-913
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• 2018

A hydrocarbon trap (HT) plays an important role of controlling vehicle emissions in the so-called cold emission period by holding hydrocarbons until three way catalysts (TWCs) are thermally activated. In this study, we have investigated the adsorption characteristics of cation (H, La, K, and Ag)-exchanged ZSM-5 zeolites for hydrocarbons (propylene, n-butane, and toluene) by DFT (density functional theory)-based computational chemistry. Cation exchange is to improve the hydrothermal stability of zeolites and their adsorption capacity, thereby rendering cation-exchanged zeolites promising materials for HT. The idea of cluster approximation makes the calculation of adsorption energies superbly efficient in computation. The results showed that Ag-exchanged ZSM-5 would be the best for the adsorption of all three adsorbates, without often encountered Ag oxidation in experiments. Besides, the hydrothermal stability of La-exchanged ZSM-5 was confirmed from the change of geometrical parameters by cation exchange, and it showed good adsorption capacity for propylene and toluene. Hydrogen-exchanged ZSM-5 was also good for hydrogen adsorption, but had poor hydrothermal stability.

• 한국자기학회지
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• 제19권5호
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• pp.157-160
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• 2009

Ge 원자로 구성된 1차원 체인형태의 나노클러스터에 자성전이금속 Cr 및 Mn 원자를 치환 하였을 때 자성전이금속 원자사이의 자기적 상호작용을 제1원리의 범밀도함수법을 이용하여 계산하였다. 그 결과 Ge 원자와 전이금속 원자는 반강자성적인 상호작용을 하고 있으며, Ge-Ge원자 또한 반강자성 경향을 나타내었다. 이러한 자기 교환상호작용은 Ge 원자 여러 원자 층을 자화시켜 일어나고 있으며, 그 크기도 작지 않았다. 또한 자기 교환상호작용은 Ge 원자 수에 크게 의존하였다.

• 유체기계공업학회:학술대회논문집
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• 유체기계공업학회 2006년 제4회 한국유체공학학술대회 논문집
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• pp.383-386
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• 2006

In this study, we propose a new fast algorithm for calculating short range forces in molecular dynamics, This algorithm uses a new hierarchical tree data structure which has a high adaptiveness to the particle distribution. It can divide a parent cell into k daughter cells and the tree structure is independent of the coordinate system and particle distribution. We investigated the characteristics and the performance of the tree structure according to k. For parallel computation, we used orthogonal recursive bisection method for domain decomposition to distribute particles to each processor, and the numerical experiments were performed on a 32-node Linux cluster. We compared the performance of the oct-tree and developed new algorithm according to the particle distributions, problem sizes and the number of processors. The comparison was performed sing tree-independent method and the results are independent of computing platform, parallelization, or programming language. It was found that the new algorithm can reduce computing cost for a large problem which has a short search range compared to the computational domain. But there are only small differences in wall-clock time because the proposed algorithm requires much time to construct tree structure than the oct-tree and he performance gain is small compared to the time for single time step calculation.

• 대한전기학회:학술대회논문집
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• 대한전기학회 2002년도 하계학술대회 논문집 C
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• pp.1515-1517
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• 2002

$MnO_2$ is used for the oxide electrode of electrochemical equipments because of its good electric conductivity and low oxygen overpotential. The effect of additives on the properties of $MnO_2$ has been investigated to enhance the electric conductivity and the stability in an acid solution. In this research, the effect of Ni addition on ${\beta}-MnO_2$ was studied by the theoretical quantum chemical method. The calculation was carried out by the discrete variation $X{\alpha}$ method, which is a sort of the first principle method and use Hatre-Fock-Slater approximation. The electron energy level, the density of state, the bond overlap population, the charge density distribution and the net ionic transfer between cations and anions were calculated and discussed. The used cluster model was $(Mn_{10}NiO_{44})^{-44}$.

• 한국결정학회지
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• 제14권1호
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• pp.16-23
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• 2003

β-MnO₂ 전자상태와 화학결합을 하트리-폭-슬레이터 근사를 사용하는 제 1원리 분자 궤도법의 일종인 DV-X/sub α/ 법에 의해 이론적으로 조사하였다. 벌크상의 β-MnO₂에 대한 상태를 해석하기에 적합한 클러스터 모델을 결정하기 위하여, 여러 가지 다른 크기를 지닌 수종의 클러스터 모델들에 대한 계산을 행하였다. 실험적으로 측정된 XPS와 이론적으로 계산된 XPS를 비교함으로써, Mn/sub 15/O/sub 56/ 모델이 β-MnO₂의 전자 상태와 화학 결합을 계산하기에 가장 적합한 모델임을 결정하였다. 이 모델을 사용하여 에너지 준위, 상태 밀도, 유효 공유 결합 전하, 유효 전하, 전자 밀도 분포를 구하고, 이에 대한 고찰을 행하였다.

• 대한금속재료학회지
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• 제46권9호
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• pp.604-608
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• 2008

The layered compounds vanadium disulfide($VS_2$) and vanadium dioxide($VO_2$) intercalated with Li are investigated for using the Discrete Variational $(DV)-X{\alpha}$ molecular orbital method. The chemical bonding properties of the atoms were examined by bond overlap population of electronic states. The plot of density of states supports the covalent bonding properties by showing the overlap between the atoms. There is a strong tendency of covalent bonding between V-S and V-O. The intensity of covalent bonding of $VS_2$ is stronger than $VO_2$. The net charge of $LiVO_2$ is higher than that of $LiVS_2$. This results of the calculation of $VO_2$ and $VS_2$ indicate that $(DV)-X{\alpha}$ method can be widely applied in the new practical materials.