• Title/Summary/Keyword: Python 3

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Creating Structure with Pymatgen Package and Application to the First-Principles Calculation (Pymatgen 패키지를 이용한 구조 생성 및 제일원리계산에의 적용)

  • Lee, Dae-Hyung;Seo, Dong-Hwa
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.35 no.6
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    • pp.556-561
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    • 2022
  • Computational material science as an application of Density Functional Theory (DFT) to the discipline of material science has emerged and applied to the research and development of energy materials and electronic materials such as semiconductor. However, there are a few difficulties, such as generating input files for various types of materials in both the same calculating condition and appropriate parameters, which is essential in comparing results of DFT calculation in the right way. In this tutorial status report, we will introduce how to create crystal structures and to prepare input files automatically for the Vienna Ab initio Simulation Package (VASP) and Gaussian, the most popular DFT calculation programs. We anticipate this tutorial makes DFT calculation easier for the ones who are not experts on DFT programs.

Dynamic characteristics analysis of CBGSCC bridge with large parameter samples

  • Zhongying He;Yifan Song;Genhui Wang;Penghui Sun
    • Steel and Composite Structures
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    • v.52 no.2
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    • pp.237-248
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    • 2024
  • In order to make the dynamic analysis and design of improved composite beam with corrugated steel web (CBGSCC) bridge more efficient and economical, the parametric self-cyclic analysis model (SCAM) was written in Python on Anaconda platform. The SCAM can call ABAQUS finite element software to realize automatic modeling and dynamic analysis. For the CBGSCC bridge, parameters were set according to the general value range of CBGSCC bridge parameters in actual engineering, the SCAM was used to calculate the large sample model generated by parameter coupling, the optimal value range of each parameter was determined, and the sensitivity of the parameters was analyzed. The number of diaphragms effects weakly on the dynamic characteristics. The deck thickness has the greatest influence on frequency, which decreases as the deck thickness increases, and the deck thickness should be 20-25 cm. The vibration frequency increases with the increase of the bottom plate thickness, the web thickness, and the web height, the bottom plate thickness should be 17-23mm, the web thickness should be 13-17 mm, and the web height should be 1.65-1.7 5 m. Web inclination and Skew Angle should not exceed 30°, and the number of diaphragms should be 3-5 pieces. This method can be used as a new method for structural dynamic analysis, and the importance degree and optimal value range of each parameter of CBGSCC bridge can be used as a reference in the design process.

A technique for capturing structural crack geometry in numerical simulation based on the invariant level set method

  • Tao Wang;Shangtao Hu;Menggang Yang;Shujun Fang
    • Structural Engineering and Mechanics
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    • v.87 no.3
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    • pp.243-254
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    • 2023
  • Engineering structures usually suffer from cracks. The crack geometry has an influence on the structural mechanical properties and subsequent crack propagations. However, as an extensively utilized method in fracture analysis, the extended finite element method provided by Abaqus fails to output the specific location and dimensions of fractures. In this study, a technique to capture the crack geometry is proposed. The technique is based on the invariant level set method (I-LSM), which can avoid updating the level set function during crack development. The solution is achieved by an open-source plug-in programmed by Python. Three examples were performed to verify the effectiveness and robustness of the program. The result shows that the developed program can accurately output the crack geometry in both the 2D and 3D models. The open-source plug-in codes are included as supplementary material.

Air Pollution Prediction Model Using Artificial Neural Network And Fuzzy Theory

  • Baatarchuluun, Khaltar;Sung, Young-Suk;Lee, Malrey
    • International Journal of Internet, Broadcasting and Communication
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    • v.12 no.3
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    • pp.149-155
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    • 2020
  • Air pollution is a problem of environmental health risk in big cities. Recently, researchers have proposed using various artificial intelligence technologies to predict air pollution. The proposed model is Cooperative of Artificial Neural Network (ANN) and Fuzzy Inference System (FIS), to predict air pollution of Korean cities using Python. Data air pollutant variables were collected and the Air Korean Web site air quality index was downloaded. This paper's aim was to predict on the health risks and the very unhealthy values of air pollution. We have predicted the air pollution of the environment based on the air quality index. According to the results of the experiment, our model was able to predict a very unhealthy value.

Preliminary Result of Exoplanet Transit Observation by NYSC 1m Telescope

  • Kang, Wonseok;Kim, Taewoo;Kwon, Sun-gill;Lee, Sang-Gak;Hinse, Tobias C.
    • The Bulletin of The Korean Astronomical Society
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    • v.41 no.2
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    • pp.58.1-58.1
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    • 2016
  • During the year 2016 the newly installed NYSC (National Youth Science Center) 1m optical telescope was officially commissioned. Calls for future observational programmes were announced. During test observations we carried out an observational project aimed at follow-up observations of transiting extrasolar planets. To predict future transits we developed the "TransitSearch" code implemented in Python utilizing transit information from the Open Exoplanet Catalogue. During three nights in April and June 2016 we observed planetary transits of HAT-P-3b and TrES-3b. Preliminary light curves of the transit events are presented alongside with best-fit models. From this experience we plan to improve the optical alignment and photometric performance by operating the 1m NYSC telescope in a strongly out-of-focus mode for transit observations.

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Research on Information Spread impact of SNS(Study of Twitter) (SNS 정보확산력 산출에 관한 연구 - 트위터를 중심으로 -)

  • Park, Sang Min;Park, Tae Hyoung;Lee, Kyung Ho
    • Journal of Korea Society of Digital Industry and Information Management
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    • v.8 no.3
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    • pp.157-169
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    • 2012
  • As of 2006. 3. the twitter offered in the USA has been one of the propaganda instrument used with ads and politics functioning speedy information diffusion on SNS communicated with others through 140 letters of short messages. and while twitter is using propaganda instrument, it keeps on trying to verify how it has an effect on. So, on the paper, I suggest new simulation model of information diffusion based on probability being able to predict the range of proliferation after it analyze the existing influence and the diffusion force on verification methods. It designed algorithm of verification and algorithm of prediction to use twitter's Open API with Python basement. It proved effectiveness on the model through the analysis to operate the twitter of practical local autonomous entity.

Discovery of new open cluster by the Gaia DR2 (Gaia DR2를 이용한 새로운 산개성단의 발견)

  • Lee, Sang Hyun;Sim, Gyuheon;Kim, Seunghyeon
    • The Bulletin of The Korean Astronomical Society
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    • v.44 no.1
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    • pp.47.3-47.3
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    • 2019
  • We discovered 722 open clusters within 1 kpc using Gaia DR2 data. These clusters are detected in the proper motion space and confirmed on the spatial distribution with parallax information. We divided the 3628 regions and visually searched using python program. Among 722 open clusters, 430 clusters are previously unknown clusters. Catalogue of discovered clusters is unloaded on the online catalogue at https://radio.kasi.re.kr/project/shlee/. Owing to the good membership criteria, we could see the halo structure of the clusters. In that reason, the average size of the discovered cluster is about 9 times than that of previously known clusters.

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Deep learning classifier for the number of layers in the subsurface structure

  • Kim, Ho-Chan;Kang, Min-Jae
    • International journal of advanced smart convergence
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    • v.10 no.3
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    • pp.51-58
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    • 2021
  • In this paper, we propose a deep learning classifier for estimating the number of layers in the Earth's structure. When installing a grounding system, knowledge of the subsurface in the area is absolutely necessary. The subsurface structure can be modeled by the earth parameters. Knowing the exact number of layers can significantly reduce the amount of computation to estimate these parameters. The classifier consists of a feedforward neural network. Apparent resistivity curves were used to train the deep learning classifier. The apparent resistivity at 20 equally spaced log points in each curve are used as the features for the input of the deep learning classifier. Apparent resistivity curve data sets are collected either by theoretical calculations or by Wenner's measurement method. Deep learning classifiers are coded by Keras, an open source neural network library written in Python. This model has been shown to converge with close to 100% accuracy.

Simulation of superconducting cavities for quantum computing

  • Park, Seong Hyeon;An, Junyoung;Bang, Jeseok;Hahn, Seungyong
    • Progress in Superconductivity and Cryogenics
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    • v.21 no.3
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    • pp.22-26
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    • 2019
  • With an increasing potential to realize quantum computer, it has recently been an important issue to extend the capabilities of RF cavities to maintain longer coherent quantum system. Using superconductors instead of normal metals allows the quantum system to have a substantially enhanced quality factor. In this paper, surface impedances of superconducting cavities are calculated by the Mattis-Bardeen theory with Python & MATLAB programs. With a simulation of electromagnetic field distribution, the sensitivity to dielectric and surface losses of the superconducting cavities are determined. Then calculations of the resonance frequency and quality factor of three-dimensional superconducting resonators made of Al or Nb are discussed.

A Study on the Effectiveness of Skin Care Solution System using Non-Invasive Air Technology

  • Park, Do-Young;Yoon, Dong-Gon;Seo, Jung-Gil
    • Journal of Platform Technology
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    • v.10 no.3
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    • pp.3-10
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    • 2022
  • The effectiveness of an innovative skin treatment system that delivers an anti-aging solution deep into the skin without invasiveness and pain using a non-invasive air technology was investigated. In addition, an effective change using a non-invasive technique for delivering a solution for skin improvement was confirmed. The equipment named Cellre Jet is an effective skin care and drug delivery equipment that instantly opens the skin epidermis by using a maximum output pressure of 6 bars and high-pressure purified oxygen of 75-90% purity to deliver various nano-sized vital substances deep into the skin, and it uses the method of precisely controlling the equipment through an 8-inch digital touch display to accurately dispense the prescribed dosage. In this study, changes in skin condition were analyzed using this equipment and nano ampoules on subjects with actual skin problems through a related comparison and effectiveness judgment program. Through this study, skin care and drug delivery are possible, which will contribute to verifying the effectiveness of this non-invasive drug delivery equipment in the future, and is expected to establish the systematic effect in observing and studying changes in the skin.