• Title/Summary/Keyword: Semi-Empirical Methods

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Soil Depth Information DB Construction Methods for Liquefaction Assessment (액상화 평가를 위한 지층심도DB 구축 방안)

  • Gang, ByeongJu;Hwang, Bumsik;Kim, Hansam;Cho, Wanjei
    • Journal of the Korean GEO-environmental Society
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    • v.20 no.3
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    • pp.39-46
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    • 2019
  • The liquefaction is a phenomenon that the effective stress becomes zero due to the rapidly accumulated excess pore water pressure when a strong load acts on the ground for a short period of time, such as an earthquake or pile driving, resulting in the loss of the shear strength of the ground. Since the Geongju and Pohang earthquake, liquefaction brought increasing domestic attention. This liquefaction can be assessed mainly through the semi-empirical procedures proposed by Seed and Idriss (1982) and the liquefaction risk based on the penetration resistance obtained from borehole DB and SPT. However, the geotechnical information data obtained by the in-situ tests or boring information fundamentally have an issue of the representative of the target area. Therefore, this study sought to construct a ground information database by classifying and reviewing the ground information required for liquefaction assessment, and tried to solve the representative problem of the soil layer that is subject to liquefaction evaluation by performing spatial interpolation using GIS.

Theoretical Study on Structural Properties of Triptan Derivatives (트립탄 유도체의 구조적 특성에 관한 이론적 연구)

  • Chul Jae Lee;Ki Young Nam
    • The Journal of the Convergence on Culture Technology
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    • v.9 no.4
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    • pp.503-508
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    • 2023
  • Tryptane derivatives are substances that treat acute migraines, and many studies have been conducted on analysis methods such as chromatography, electrochemistry, spectroscopy, and capillary electrophysiology. Recently, analytical chemists have become more interested in drug analysis and solving fundamental problems of biological importance. Therefore, in this study, the chemical properties of each derivative were investigated by calculating the total energy, band gap, electrostatic potential, and charge of Sumatriptan, Lizatriptan, Naratriptan, and Eletriptan using HyperChem8.0's semi-empirical PM3 method. As a result of this study, in the case of Sumatriptan, Naratriptan, and Eletriptan, chemical reactions are expected to proceed centering on oxygen and nitrogen atoms bonded to sulfur atoms. In addition, in the case of Rizatriptan without a sulfur atom, it was shown that the chemical reaction proceeds at the 17th and 19th nitrogens of the 5-membered heterocyclic compound.

Numerical Modelling Techniques of VPMM for Manta Type UUV (만타형 UUV의 VPMM 전산해석기법 개발)

  • Sang-Eui Lee
    • Proceedings of the Korean Institute of Navigation and Port Research Conference
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    • 2023.05a
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    • pp.151-151
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    • 2023
  • An accurate prediction of the hydrodynamic maneuvering darivatives is essential to desing a robust control system of a UUV(unmanned underwater vehicle). Typically, these derivatives were estimated by either the towing tank experiment or semi-empirical methods. With the enhancement of high performance computing capacity, a numerical analysis using computational fluid dynamics has reach the level of experiment. Therefore, the aims of the present research are to numerically develop a computational model for the vertical planar motion mechanism of a UUV and to estimate the hydrodynamics loads in 6-DOF. The target structure of the present study was manta type UUV (12meter length). The numerical model was developed in 1/ 6 model scale. Numerical results were compared with the results of the towing tank experiment for validation. In the present study, a commercial RANS-based viscous solver STARCCM+ (ver 17.06) was used.

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A Theoretical Study for Estimation of Oxygen Effect in Radiation Therapy (방사선 조사시 산소가 세포에 미치는 영향의 이론적 분석)

  • Rena J. Lee;HyunSuk Suh
    • Progress in Medical Physics
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    • v.11 no.2
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    • pp.157-165
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    • 2000
  • Purpose: For estimation of yields of l)NA damages induced by radiation and enhanced by oxygen, a mathematical model was used and tested. Materials and Methods: Reactions of the products of water radiolysis were modeled as an ordinary time dependant equations. These reactions include formation of radicals, DNA damage, damage repair, restitution, and damage fixation by oxygen and H-radical. Several rate constants were obtained from literature while others were calculated by fitting an experimental data. Sensitivity studies were performed changing the chemical rate constant at a constant oxygen number density and varying the oxygen concentration. The effects of oxygen concentration as well as the damage fixation mechanism by oxygen were investigated. Oxygen enhancement ratio(OER) was calculated to compare the simulated data with experimental data. Results: Sensitivity studies with oxygen showed that DNA survival was a function of both oxygen concentration and the magnitude of chemical rate constants. There were no change in survival fraction as a function of dose while the oxygen concentration change from 0 to 1.0 x 10$^{7}$ . When the oxygen concentration change from 1.0 $\times$ 107 to 1.0 $\times$ 101o, there was significant decrease in cell survival. The OER values obtained from the simulation study were 2.32 at 10% cell survival level and 1.9 at 45% cell survival level. Conclusion: Sensitivity studies with oxygen demonstrated that the experimental data were reproduced with the effects being enhanced for the cases where the oxygen rate constants are largest and the oxygen concentration is increased. OER values obtained from the simulation study showed good agreement for a low level of cell survival. This indicated that the use of the semi-empirical model could predict the effect of oxygen in cell killing.

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Computational Optimization of Bioanalytical Parameters for the Evaluation of the Toxicity of the Phytomarker 1,4 Napthoquinone and its Metabolite 1,2,4-trihydroxynapththalene

  • Gopal, Velmani;AL Rashid, Mohammad Harun;Majumder, Sayani;Maiti, Partha Pratim;Mandal, Subhash C
    • Journal of Pharmacopuncture
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    • v.18 no.2
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    • pp.7-18
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    • 2015
  • Objectives: Lawsone (1,4 naphthoquinone) is a non redox cycling compound that can be catalyzed by DT diaphorase (DTD) into 1,2,4-trihydroxynaphthalene (THN), which can generate reactive oxygen species by auto oxidation. The purpose of this study was to evaluate the toxicity of the phytomarker 1,4 naphthoquinone and its metabolite THN by using the molecular docking program AutoDock 4. Methods: The 3D structure of ligands such as hydrogen peroxide ($H_2O_2$), nitric oxide synthase (NOS), catalase (CAT), glutathione (GSH), glutathione reductase (GR), glucose 6-phosphate dehydrogenase (G6PDH) and nicotinamide adenine dinucleotide phosphate hydrogen (NADPH) were drawn using hyperchem drawing tools and minimizing the energy of all pdb files with the help of hyperchem by $MM^+$ followed by a semi-empirical (PM3) method. The docking process was studied with ligand molecules to identify suitable dockings at protein binding sites through annealing and genetic simulation algorithms. The program auto dock tools (ADT) was released as an extension suite to the python molecular viewer used to prepare proteins and ligands. Grids centered on active sites were obtained with spacings of $54{\times}55{\times}56$, and a grid spacing of 0.503 was calculated. Comparisons of Global and Local Search Methods in Drug Docking were adopted to determine parameters; a maximum number of 250,000 energy evaluations, a maximum number of generations of 27,000, and mutation and crossover rates of 0.02 and 0.8 were used. The number of docking runs was set to 10. Results: Lawsone and THN can be considered to efficiently bind with NOS, CAT, GSH, GR, G6PDH and NADPH, which has been confirmed through hydrogen bond affinity with the respective amino acids. Conclusion: Naphthoquinone derivatives of lawsone, which can be metabolized into THN by a catalyst DTD, were examined. Lawsone and THN were found to be identically potent molecules for their affinities for selected proteins.

Recent Progress in Air-Conditioning and Refrigeration Research: A Review of Papers Published in the Korean Journal of Air-Conditioning and Refrigeration Engineering in 2014 (설비공학 분야의 최근 연구 동향: 2014년 학회지 논문에 대한 종합적 고찰)

  • Lee, Dae-Young;Kim, Sa Ryang;Kim, Hyun-Jung;Kim, Dong-Seon;Park, Jun-Seok;Ihm, Pyeong Chan
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.27 no.7
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    • pp.380-394
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    • 2015
  • This article reviews the papers published in the Korean Journal of Air-Conditioning and Refrigeration Engineering during 2014. It is intended to understand the status of current research in the areas of heating, cooling, ventilation, sanitation, and indoor environments of buildings and plant facilities. Conclusions are as follows. (1) The research works on the thermal and fluid engineering have been reviewed as groups of heat and mass transfer, cooling and heating, and air-conditioning, the flow inside building rooms, and smoke control on fire. Research issues dealing with duct and pipe were reduced, but flows inside building rooms, and smoke controls were newly added in thermal and fluid engineering research area. (2) Research works on heat transfer area have been reviewed in the categories of heat transfer characteristics, pool boiling and condensing heat transfer and industrial heat exchangers. Researches on heat transfer characteristics included the results for thermal contact resistance measurement of metal interface, a fan coil with an oval-type heat exchanger, fouling characteristics of plate heat exchangers, effect of rib pitch in a two wall divergent channel, semi-empirical analysis in vertical mesoscale tubes, an integrated drying machine, microscale surface wrinkles, brazed plate heat exchangers, numerical analysis in printed circuit heat exchanger. In the area of pool boiling and condensing, non-uniform air flow, PCM applied thermal storage wall system, a new wavy cylindrical shape capsule, and HFC32/HFC152a mixtures on enhanced tubes, were actively studied. In the area of industrial heat exchangers, researches on solar water storage tank, effective design on the inserting part of refrigerator door gasket, impact of different boundary conditions in generating g-function, various construction of SCW type ground heat exchanger and a heat pump for closed cooling water heat recovery were performed. (3) In the field of refrigeration, various studies were carried out in the categories of refrigeration cycle, alternative refrigeration and modelling and controls including energy recoveries from industrial boilers and vehicles, improvement of dehumidification systems, novel defrost systems, fault diagnosis and optimum controls for heat pump systems. It is particularly notable that a substantial number of studies were dedicated for the development of air-conditioning and power recovery systems for electric vehicles in this year. (4) In building mechanical system research fields, seventeen studies were reported for achieving effective design of the mechanical systems, and also for maximizing the energy efficiency of buildings. The topics of the studies included energy performance, HVAC system, ventilation, and renewable energies, piping in the buildings. Proposed designs, performance performance tests using numerical methods and experiments provide useful information and key data which can improve the energy efficiency of the buildings. (5) The field of architectural environment was mostly focused on indoor environment and building energy. The main researches of indoor environment were related to the evaluation of work noise in tunnel construction and the simulation and development of a light-shelf system. The subjects of building energy were worked on the energy saving of office building applied with window blind and phase change material(PCM), a method of existing building energy simulation using energy audit data, the estimation of thermal consumption unit of apartment building and its case studies, dynamic window performance, a writing method of energy consumption report and energy estimation of apartment building using district heating system. The remained studies were related to the improvement of architectural engineering education system for plant engineering industry, estimating cooling and heating degree days for variable base temperature, a prediction method of underground temperature, the comfort control algorithm of car air conditioner, the smoke control performance evaluation of high-rise building, evaluation of thermal energy systems of bio safety laboratory and a development of measuring device of solar heat gain coefficient of fenestration system.

Derivation of Inherent Optical Properties Based on Deep Neural Network (심층신경망 기반의 해수 고유광특성 도출)

  • Hyeong-Tak Lee;Hey-Min Choi;Min-Kyu Kim;Suk Yoon;Kwang-Seok Kim;Jeong-Eon Moon;Hee-Jeong Han;Young-Je Park
    • Korean Journal of Remote Sensing
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    • v.39 no.5_1
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    • pp.695-713
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    • 2023
  • In coastal waters, phytoplankton,suspended particulate matter, and dissolved organic matter intricately and nonlinearly alter the reflectivity of seawater. Neural network technology, which has been rapidly advancing recently, offers the advantage of effectively representing complex nonlinear relationships. In previous studies, a three-stage neural network was constructed to extract the inherent optical properties of each component. However, this study proposes an algorithm that directly employs a deep neural network. The dataset used in this study consists of synthetic data provided by the International Ocean Color Coordination Group, with the input data comprising above-surface remote-sensing reflectance at nine different wavelengths. We derived inherent optical properties using this dataset based on a deep neural network. To evaluate performance, we compared it with a quasi-analytical algorithm and analyzed the impact of log transformation on the performance of the deep neural network algorithm in relation to data distribution. As a result, we found that the deep neural network algorithm accurately estimated the inherent optical properties except for the absorption coefficient of suspended particulate matter (R2 greater than or equal to 0.9) and successfully separated the sum of the absorption coefficient of suspended particulate matter and dissolved organic matter into the absorption coefficient of suspended particulate matter and dissolved organic matter, respectively. We also observed that the algorithm, when directly applied without log transformation of the data, showed little difference in performance. To effectively apply the findings of this study to ocean color data processing, further research is needed to perform learning using field data and additional datasets from various marine regions, compare and analyze empirical and semi-analytical methods, and appropriately assess the strengths and weaknesses of each algorithm.