• 제목/요약/키워드: Quantitative parameters

검색결과 1,130건 처리시간 0.026초

QSPR Studies on Impact Sensitivities of High Energy Density Molecules

  • Kim, Chan-Kyung;Cho, Soo-Gyeong;Li, Jun;Kim, Chang-Kon;Lee, Hai-Whang
    • Bulletin of the Korean Chemical Society
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    • 제32권12호
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    • pp.4341-4346
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    • 2011
  • Impact sensitivity, one of the most important screening factors for novel high energy density materials (HEDMs), was predicted by use of quantitative structure-property relationship (QSPR) based on the electrostatic potential (ESP) values calculated on the van der Waals molecular surface (MSEP). Among various 3D descriptors derived from MSEP, we utilized total and positive variance of MSEP, and devised a new QSPR equation by combining three other parameters. We employed 37 HEDMs bearing a benzene scaffold and nitro substituents, which were also utilized by Rice and Hare. All the molecular structures were optimized at the B3LYP/6-31G(d) level of theory and confirmed as minima by the frequency calculations. Our new QSPR equation provided a good result to predict the impact sensitivities of the molecules in the training set including zwitterionic molecules.

동력형 욕창예방제품의 교대부양 압력 프로파 특성 (Alternating Pressure Profile Characteristics of Powered Pressure Ulcer Preventing Devices)

  • 원병희;송창섭
    • 대한인간공학회지
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    • 제29권4호
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    • pp.639-646
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    • 2010
  • The APAM's quantitative effectiveness and comparative study in preventing and treating pressure ulcer has not been sufficiently evaluated mainly because of uncertainty of pressure load input and lack of interpretation of dynamic perfusion recovery characteristics of soft tissue. The purpose of this paper was to quantify and analyze the alternating pressure characteristics of APAM as a preventive measure for pressure ulcers. To quantify the alternating load to human body, we introduced alternating pressure profile concept and developed parametric model of the profile. Regarding pressure level and cycle time, 3 global and 7 local periodic parameters were used to define the profile such as light, standard, typical and heavy duty profile shape. Pressure impulse ratio of light duty is the lowest but pressure fluctuation is significantly high. For the same duty shape, contact conditions are changed with alternating cycle time and more dramatically in shorter alternating cycle time conditions. We can conclude that if we use shorter alternating cycle time on APAM's operation we can get more positive effects regarding to inflated contact time condition. We proposed the quantitative methods on tissue viability study of external loading by simultaneous measurement of interface pressure and tissue perfusion with proper alternating pressure profile conditions.

Hippocampus Segmentation and Classification in Alzheimer's Disease and Mild Cognitive Impairment Applied on MR Images

  • Madusanka, Nuwan;Choi, Yu Yong;Choi, Kyu Yeong;Lee, Kun Ho;Choi, Heung-Kook
    • 한국멀티미디어학회논문지
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    • 제20권2호
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    • pp.205-215
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    • 2017
  • The brain magnetic resonance images (MRI) is an important imaging biomarker in Alzheimer's disease (AD) as the cerebral atrophy has been shown to strongly associate with cognitive symptoms. The decrease of volume estimates in different structures of the medial temporal lobe related to memory correlates with the decline of cognitive functions in neurodegenerative diseases. During the past decades several methods have been developed for quantifying the disease related atrophy of hippocampus from MRI. Special effort has been dedicated to separate AD and mild cognitive impairment (MCI) related modifications from normal aging for the purpose of early detection and prediction. We trained a multi-class support vector machine (SVM) with probabilistic outputs on a sample (n = 58) of 20 normal controls (NC), 19 individuals with MCI, and 19 individuals with AD. The model was then applied to the cross-validation of same data set which no labels were known and the predictions. This study presents data on the association between MRI quantitative parameters of hippocampus and its quantitative structural changes examination use on the classification of the diseases.

자기공명심장영상의 좌심실 분할과 가시화 (Segmentation and Visualization of Left Ventricle in MR Cardiac Images)

  • 정성택;신일홍;권민정;박현욱
    • 대한의용생체공학회:의공학회지
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    • 제23권2호
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    • pp.101-107
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    • 2002
  • 이 논문에서는 자기공명심장영상에서 내벽과 외벽의 추출을 위한 반자동 분할 알고리즘을 제안하였다. 이 알고리즘은 Generalized gradient vector flow snake와 초기 윤곽선 예측 과정을 기반으로 한다. 특히 이 알고리즘은 내벽과 외벽의 공간적인 특설을 이용하며 Cross profile correlation matching (CPCM)을 사용한다. 현재 공간에서의 이전 시간에 관계된 영상과 현재 시간에서의 공간에 관계된 영상을 사용하여 초기 윤곽선 예측을 더욱 효과적으로 수행하였다. Multislice와 multiphase의 Siemens와 GE. Medinus 자기공명심장영상을 사용하여 실험하였고 많은 영상들에 대해 충분히 만족할만한 결과를 얻었다. 그리고 분할한 결과로 quantitative analysis를 수행하였고 시각적으로 보여주었다. 개발된 소프트웨어는 Visual C++을 사용하여 windows 환경의 응용프로그램으로 개발되었다.

해외 사례분석을 통한 Cool Roof의 도입 방안 (Introducing Strategy of Cool Roofs based on Comparative Evaluation of Foreign Cases)

  • 최진호;엄정섭
    • 환경영향평가
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    • 제19권6호
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    • pp.591-605
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    • 2010
  • Cool roofs are currently being emerged as one of important mechanism to save energy in relation to the building. This paper reviews worldwide experiences (USA, Japan and EU etc) for the potential benefits cool roofs offer in relation to building energy saving for comparison purposes. It is confirmed that there is a significant potential to the energy saving by introducing the cool roof in a Korean climate because of similarity in terms of HDD (Heating Degree Day) and CDD (Cooling Degree Day) as those countries reviewed. Such a comparative study highlights that the type of measurements performed and the quantitative parameters reported from the countries should be standardized in Korean context in order to implement further comparable experiments for scientifically sound investigations. It is anticipated that this research output could be used as a valuable reference in implementing a Nation-wide cool roofing strategy in the central and local governments since a suitable technical, more objective direction has been proposed based on the measured, fully quantitative performance of the involved components of a cool roof system in the global context. From this critical review, a very important step has been made concerning the practicality of cool roof in Korean context. Ultimately, the suggestion in this paper will greatly contribute to opening new possibilities for introducing cool roof in this country, proposed as an initial aim of this paper.

수직축을 중심으로 회전하는 직관과 정지한 곡관 내에서의 완전 발달된 난류 유동의 유사성에 관한 수치적 연구 (Numerical Study on the Similarity between the Fully Developed Turbulent Flow in an Orthogonally Rotating Square Duct and that in a Stationary Curved Square Duct)

  • 이공희;백제현
    • 대한기계학회논문집B
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    • 제25권5호
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    • pp.731-740
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    • 2001
  • A numerical study on the quantitative analogy between the fully developed turbulent flow in a straight square duct rotating about an axis perpendicular to that of the duct and that in a stationary curved duct of square cross-section is carried out. In order to clarify the similarity of the two flows, dimensionless parameters K(sub)TR=Re(sup)1/4/√Ro and Rossby number, Ro, in a rotating straight duct flow were used as a set corresponding to K(sub)TC=Re(sup)1/4/√λ and curvature ratio, λ, in a stationary curved duct flow so that they have the same dynamical meaning as those of the fully developed laminar flows. For the large values of Ro or λ, it is shown that the flow field satisfies the asymptotic invariance property, that is, there are strong quantitative similarities between the two flows such as flow patterns and friction factors for the same values of K(sub)TR and K(sub)TC.

오스템퍼링 구상흑연주철의 피로한도 지배인자에 관한 연구 (A Study on the Governing Factor of Fatigue Limit in Austempered Ductile Iron)

  • 정회원;김진학
    • 한국자동차공학회논문집
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    • 제7권5호
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    • pp.221-229
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    • 1999
  • We examined the governing factors of fatigue limit in annealed and austempered ductile iron specimens machined micro hole(dia.<0.4mm) in rotary bending fatigue test. Also, the quantitative relationship between fatigue limit and maximum defect size in specimens was investigated. Artificial defect(micro-pit type, dia.<0.4mm) on specimen surface did not bring about an obvious reduction of fatigue limit in austempered ductile iton(ADI) as compared with annealed ductile iron. According to the investigation of ${\sqrt{area}}_c$ which is the critical defect size to crack initiation at artificial defect, ${\sqrt{area}}_c$ of ADI was larger than that of annealed ductile iron. This shows that the situation of crack initiation at artificial defect in ADI is more difficult in comparison with annealed ductile iron. Maximum defect size is one of the important parameters to predict fatigue limit. And, the quantitative relationship, between the fatigue limit ${\sigma}_{\omega}$ and the maximum defect size ${\sqrt{area}}_{max}$ can be expressed to ${\sigma}_{\omega}^n{\cdot}{\sqrt{area}}_{max}=C_2$ where, $C_2$ are constant. Moreover, it is possible to explain the difference in fatigue limit between, austempered and annealed ductile iron by introducing the parameter ${\delta}(=N_{sg}/N_{total})$in a plain spectimen.

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섭동 입력을 사용한 구배 값 추정용 센서 신호 처리 (Sensor Signal Processing for Estimating Gradient Values using Perturbation Input)

  • 이수용
    • 센서학회지
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    • 제26권4호
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    • pp.251-258
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    • 2017
  • According to recent studies by scientists about how to search for food, homes and the mates, it is found that the gradient information plays a key role. From cells to insects and large animals, they mostly either have special sensing organism or use a strategy to measure the gradient. Use of a perturbation as an additional input is introduced for sensor signal processing in order to get the gradient information. Different from typical approach, which calculates the gradient from differentiation, the proposed processing is done by a form of integration, thus it is very robust to noise. Discrete time domain analyses are given for one, two and three input functions for the estimation of the gradients. The amplitude and the frequency of the perturbation are two important parameters for this approach. A quantitative index to measure the effects of the amplitude is developed based on the linear regression analysis. The frequency of the perturbation is to be selected high enough to finish one period of the perturbation before the property is changed significantly with respect to time. Another quantitative index is proposed for guiding the selection of the frequency.

Selectivity of between K+ and Na+ Ions to 12-Crown-4: QSPR Analysis by a Monte Carlo Simulation Study

  • Kim, Hag-Sung
    • Bulletin of the Korean Chemical Society
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    • 제29권2호
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    • pp.431-437
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    • 2008
  • The solvent effects on the relative free energies of binding of K+ and Na+ ions to 12-crown-4 and Dlog Ks (the difference of stability constant of binding) have been investigated by a Monte Carlo simulation of statistical perturbation theory (SPT) in several solvents. Comparing the relative free energies of binding of K+ and Na+ ions to 12-crown-4, in CH3OH of this study with experimental works, there is a good agreement among the studies. We have reported here the quantitative solvent-polarity relationships (QSPR) studied on the solvent effects the relative free energies of binding of K+ and Na+ ions to 12-crown-4. We noted that DN(donor number) dominates the differences in relative solvation Gibbs free energies of K+ and Na+ ions and DN dominates the negative values in differences in the stability constant (Dlog Ks) as well as the relative free energies of binding of K+ and Na+ ions to 12-crown-4 and p* (Kamlet-Tafts solvatochromic parameters) dominates the positive values in differences in the stability constant (Dlog Ks) as well as the relative free energies of binding of K+ and Na+ ions to 12-crown-4.

시뮬레이션에 의한 CH4 기체의 전리 및 확산계수 (Ionization and Diffusion Coefficients in CH4 Gas by Simulation)

  • 김상남
    • 전기학회논문지P
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    • 제63권4호
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    • pp.317-321
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    • 2014
  • This paper describes the information for quantitative simulation of weakly ionized plasma. We must grasp the meaning of the plasma state condition to utilize engineering application and to understand materials of plasma state. Using quantitative simulations of weakly ionized plasma, we can analyze gas characteristic. In this paper, the electron Ionization and diffusion Coefficients in $CH_4$ has been analysed over the E/N range 0.1~300[Td], at the 300[$^{\circ}K$] by the two term approximation Boltzmann equation method and Monte Carlo Simulation. Boltzmann equation method has also been used to predict swarm parameter using the same cross sections as input. The behavior of electron has been calculated to give swarm parameter for the electron energy distribution function has been analysed in $CH_4$ at E/N=10, 100 for a case of the equilibrium region in the mean energy. A set of electron collision cross section has been assembled and used in Monte Carlo simulation to predict values of swarm parameters. The result of Boltzmann equation and Monte Carlo Simulation has been compared with experimental data by Ohmori, Lucas and Carter. The swarm parameter from the swarm study are expected to sever as a critical test of current theories of low energy scattering by atoms and molecules.