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  • 1
    Online Resource
    Online Resource
    MDPI AG ; 2022
    In:  Polymers Vol. 14, No. 21 ( 2022-11-02), p. 4685-
    In: Polymers, MDPI AG, Vol. 14, No. 21 ( 2022-11-02), p. 4685-
    Abstract: This paper illustrates a study of the thermal oxidation of several epoxy amine networks. Oxidation was followed at the molecular scale using Fourier Transform InfraRed spectroscopy (FTIR) and at the macromolecular scale using tensile tests. FTIR showed the major formation of amides, while tensile tests showed the progressive increase in the elastic modulus (~0.5 GPa for room temperature Young modulus) and decrease in ultimate strain and volumic energy for failure (assessed using the integrals of stress-strain curves). Both ultimate strain and volumic energy were divided by more than two. Linear correlations between oxidation trackers (amide concentration) and changes in mechanical parameters are presented and discussed.
    Type of Medium: Online Resource
    ISSN: 2073-4360
    Language: English
    Publisher: MDPI AG
    Publication Date: 2022
    detail.hit.zdb_id: 2527146-5
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  • 2
    Online Resource
    Online Resource
    MDPI AG ; 2022
    In:  Electronics Vol. 11, No. 20 ( 2022-10-14), p. 3312-
    In: Electronics, MDPI AG, Vol. 11, No. 20 ( 2022-10-14), p. 3312-
    Abstract: Graph edit distance (GED) is a powerful tool to model the dissimilarity between graphs. However, evaluating the exact GED is NP-hard. To tackle this problem, estimation methods of GED were introduced, e.g., bipartite and IPFP, during which heuristics were employed. The stochastic nature of these methods induces the stability issue. In this paper, we propose the first formal study of stability of GED heuristics, starting with defining a measure of these (in)stabilities, namely the relative error. Then, the effects of two critical factors on stability are examined, namely, the number of solutions and the ratio between edit costs. The ratios are computed on five datasets of various properties. General suggestions are provided to properly choose these factors, which can reduce the relative error by more than an order of magnitude. Finally, we verify the relevance of stability to predict performance of GED heuristics, by taking advantage of an edit cost learning algorithm to optimize the performance and the k-nearest neighbor regression for prediction. Experiments show that the optimized costs correspond to much higher ratios and an order of magnitude lower relative errors than the expert cost.
    Type of Medium: Online Resource
    ISSN: 2079-9292
    Language: English
    Publisher: MDPI AG
    Publication Date: 2022
    detail.hit.zdb_id: 2662127-7
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  • 3
    In: Molecules, MDPI AG, Vol. 26, No. 20 ( 2021-10-14), p. 6218-
    Abstract: Electronic effects (inductive and mesomeric) are of fundamental importance to understand the reactivity and selectivity of a molecule. In this article, polarisation temperature is used as a principal index to describe how electronic effects propagate in halogeno-alkanes and halogeno-alkenes. It is found that as chain length increases, polarisation temperature decreases. As expected, polarisation is much larger for alkenes than for alkanes. Finally, the polarisation mode of the carbon–fluorine bond is found to be quite different and might explain the unusual reactivity of fluoride compounds.
    Type of Medium: Online Resource
    ISSN: 1420-3049
    Language: English
    Publisher: MDPI AG
    Publication Date: 2021
    detail.hit.zdb_id: 2008644-1
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