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Mass transfer in the Frenkel-Kontorova chain initiated by molecule impact A. M. Marjaneh, D. Saadatmand, I. Evazzade [et al.]

Contributor(s): Saadatmand, Danial | Evazzade, Iman | Babicheva, R. I | Soboleva, E. G | Srikanth, Narasimalu | Zhou, Kun | Korznikova, Elena A | Dmitriev, Sergey V | Marjaneh, Aliakbar MoradiMaterial type: ArticleArticleContent type: Текст Media type: электронный Subject(s): массоперенос | Френкеля-Конторовой модель | краудионыGenre/Form: статьи в журналах Online resources: Click here to access online In: Physical Review E Vol. 98, № 2. P. 023003-1-023003-9Abstract: The Frenkel-Kontorova chain with a free end is used to study initiation and propagation of crowdions (antikinks) caused by impact of a molecule consisting of K atoms. It is found that molecules with 1<K<10 are more efficient in the initiation of crowdions as compared to a single atom (K=1) because the total energy needed to initiate the crowdions by molecules is smaller. This happens because a single atom can initiate in the chain only sharp, fast-moving crowdions that require relatively large energy. A molecule has finite length, and that is why it is able to excite a wider crowdion with a smaller velocity and smaller energy. Our results can shed light on the atomistic mechanisms of mass transfer in crystals subject to atom and molecule bombardment.
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The Frenkel-Kontorova chain with a free end is used to study initiation and propagation of crowdions (antikinks) caused by impact of a molecule consisting of K atoms. It is found that molecules with 1<K<10 are more efficient in the initiation of crowdions as compared to a single atom (K=1) because the total energy needed to initiate the crowdions by molecules is smaller. This happens because a single atom can initiate in the chain only sharp, fast-moving crowdions that require relatively large energy. A molecule has finite length, and that is why it is able to excite a wider crowdion with a smaller velocity and smaller energy. Our results can shed light on the atomistic mechanisms of mass transfer in crystals subject to atom and molecule bombardment.

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