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Atomistic simulations of ion implantation: The sputtering effect on depth distributions

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21220%2F23%3A00371073" target="_blank" >RIV/68407700:21220/23:00371073 - isvavai.cz</a>

  • Alternative codes found

    RIV/68407700:21340/23:00371073

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Atomistic simulations of ion implantation: The sputtering effect on depth distributions

  • Original language description

    Within the domain of molecular dynamics simulations investigating the ion implantation phenomena, the precise incorporation of the sputtering effect is important for accurate predictions of surface properties and the spatial distribution of implanted particles throughout the target material. However, this becomes computationally demanding task, especially for middle-to-high fluences, owing to the substantial number of atoms required for such simulations. In this study, a novel approach was introduced to address this issue. Sputtering effects based on yield data from the Monte Carlo TRIDYN software were integrated into the molecular dynamics simulations using an in-house algorithm implemented within the LAMMPS code. This integration significantly reduces the computational time, allowing for efficient simulations. The practicality of this algorithm is demonstrated by its application in predicting depth distributions of N particles implanted within an α-Ti target as a function of N fluence. The simulation results with and without the inclusion of the sputtering are compared, and validated with established TRIDYN simulations and experimental data obtained via SIMS. This work showcases an efficient and pertinent approach for predicting high-dose ion implantation effects.

  • Czech name

  • Czech description

Classification

  • Type

    O - Miscellaneous

  • CEP classification

  • OECD FORD branch

    10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Result continuities

  • Project

  • Continuities

    S - Specificky vyzkum na vysokych skolach

Others

  • Publication year

    2023

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů