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

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/68407700:21340/23:00371073

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

O - Ostatní výsledky

CEP obor

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OECD FORD obor

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

Projekt

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Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2023

Kód důvěrnosti údajů

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