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П’єзоелектричний відгук полі (L-молочної кислоти) α-форми на механічно напружений стан

П’єзоелектричний відгук полі (L-молочної кислоти) α-форми на механічно напружений стан

Here, the piezoelectric effects in a polymer (L-lactic acid) under a mechanical action are studied by methods of the density functional theory and first-principles pseudopotential based on own program code. The spatial distributions of the valence electron density, electronic state density, Coulomb...

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Bibliographic Details
Main Authors: Zadorozhnyi, V.M., Balabai, R.M., Bondarenko, O.O.
Format: Article
Language:English
Ukrainian
Published: Publishing house "Academperiodika" 2025
Subjects:
п’єзоелектричнi ефекти
полiмер (L-молочна кислота)
стиснення
згинання
скручування
теорiя функцiонала густини
розрахунки з перших принципiв
Online Access:https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2023265
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Summary:Here, the piezoelectric effects in a polymer (L-lactic acid) under a mechanical action are studied by methods of the density functional theory and first-principles pseudopotential based on own program code. The spatial distributions of the valence electron density, electronic state density, Coulomb potentials in different directions of the PLLA polymer fragment and charge states of its individual atoms are calculated. It is found that only one fragment of the polymer chain allows us to determine the nature of the charge polarization of valence electrons and ions under a mechanical deformation.

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