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  • Open Access

    ARTICLE

    Predicting the Electronic and Structural Properties of Two-Dimensional Materials Using Machine Learning

    Ehsan Alibagheri1, Bohayra Mortazavi2, Timon Rabczuk3,4,*

    CMC-Computers, Materials & Continua, Vol.67, No.1, pp. 1287-1300, 2021, DOI:10.32604/cmc.2021.013564

    Abstract Machine-learning (ML) models are novel and robust tools to establish structure-to-property connection on the basis of computationally expensive ab-initio datasets. For advanced technologies, predicting novel materials and identifying their specification are critical issues. Two-dimensional (2D) materials are currently a rapidly growing class which show highly desirable properties for diverse advanced technologies. In this work, our objective is to search for desirable properties, such as the electronic band gap and total energy, among others, for which the accelerated prediction is highly appealing, prior to conducting accurate theoretical and experimental investigations. Among all available componential methods, gradient-boosted (GB) ML algorithms are known… More >

  • Open Access

    ABSTRACT

    Image Processing/Machine-Learning for Auto-Labeling of Steel Images on Present Microstructures

    Dmitry S. Bulgarevich1,*, Susumu Tsukamoto1, Tadashi Kasuya2, Masahiko Demura1, Makoto Watanabe1,3

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.22, No.2, pp. 122-122, 2019, DOI:10.32604/icces.2019.05271

    Abstract The microstructure of steel greatly determines its mechanical properties/performance and holds information on chemical composition and processing history. Therefore, quantitative analysis of optical or SEM images on formed microstructure phases is one of the primary interests for metallurgy. So far, such analyses in laboratories are done manually by experts and are very time consuming. However, with modern microscopy techniques of automated image acquisitions over the large imaging areas and even by using of sample slicing for three-dimensional imaging, the amount of image data could be overwhelming for manual examinations. In this respect, there is a possibility that machine learning (ML)… More >

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