Structural change of aluminum thin film in the temperature range from 300 K to 1000 K

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Temperature and pressure evolution due to heating and cooling in the range of 300 to 1100 K of Aluminum thin film with thickness 10 nm were investigated based on Molecular Dynamics (MD) simulation. Pressure evolution shows that heating and cooling rates with comparison of 3:2:1 provides significant contribution on melting and recrystallization of the system. The oscillation of the pressure is the strongest at the highest heating rate which indicate that the system collapses stronger than the lower rate. It is responsible for the destruction of the structure correlated to the elevation of the temperature. While for recrystallization, the analysis on pressure oscillations confirmed the influence of the rates. Analysis based on local crystal structure indicated that at T = 1100 K, all the systems are melted.

Section: Introductionmentioning

confidence: 99%

Influence of heating and cooling rates on thermodynamic properties of aluminum thin film from 300 to 1100 K

Fahdiran

Sugihartono

Delina

et al. 2022

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“…Therefore, simulation in the context of atomistic point of view will emphasized and gives clear understanding of the mechanism. Molecular Dynamics (MD) simulation gives the opportunity to observe the transition since it follow the trajectory of each atoms for complete simulation time [4].…”

Section: Introductionmentioning

confidence: 99%

Influence of thickness on heat treatment from 300 to 1100 K of aluminum thin film

Susila

Handoko

Budi

et al. 2022

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We investigated the influence of Aluminum thin film thickness during heat treatment. The films with thickness of 5 nm, 10 nm and 15 nm were heated from room temperature up to above melting point with same heating rate. Molecular Dynamics (MD) simulation is employed to study the behaviour of the thin film where the atoms were followed based on its trajectories. Thin film thickness gives significance contribution to the mechanism of the melting. Smaller thickness suffered strong pressure oscillation while the thin film temperature is increases. Local crystal structure confirmed the transformation of the system from crystalline state to melting state.

“…Through computer experiment by means of Molecular Dynamics (MD) simulation, it is possible to analyze the behavior of such treatment as atomistic point of view. MD simulation could follow the trajectories of the atoms and mimics the behavior of the system [4].…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic and structure properties of aluminum nanoparticle due to heat treatment: a molecular dynamics study

Susila

Handoko

Budi

et al. 2022

Self Cite

Thermodynamic and structure evolution of Aluminum nanoparticle with diameter of 10 nm are investigated due to heat treatment by means of stepping heat and compared it to sudden heat. Molecular Dynamics (MD) simulation is employed to track the trajectories of each atom and its surrounding to define thermodynamic properties, e.g., temperature and pressure. The temperature evolution gives clear different profile for both cases, while pressure profile strongly evident different mechanism of melting. From thermodynamics point of view, the nanoparticle suffered different final state for both heating methods. Structure analysis later confirmed that for stepping heat the nanoparticle is melted while for sudden heat it is only partially melted.