Structure evolution due to heat treatment of aluminum nanoparticle with different sizes: a molecular dynamics study

Abstract In this study, we performed Molecular Dynamics (MD) Simulation to investigate the significance of diameter during heat treatment of Aluminum nanoparticle. Structure information along with thermodynamics evolution is analyzed to explain the significance. Different sizes of nanoparticle diame...

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Bibliographic Details
Published inJournal of physics. Conference series Vol. 2193; no. 1; pp. 12026 - 12030
Main Authors Fahdiran, Riser, Sugihartono, Iwan, Delina, Mutia, Prayitno, Teguh Budi, Sunaryo, Nasbey, Hadi
Format Journal Article
LanguageEnglish
Published Bristol IOP Publishing 01.02.2022
Subjects
Aluminum
Evolution
Heat treatment
Heating rate
Molecular dynamics
Nanoparticles
Physics
Pressure oscillations
Structural analysis
Thermodynamics
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Summary:Abstract In this study, we performed Molecular Dynamics (MD) Simulation to investigate the significance of diameter during heat treatment of Aluminum nanoparticle. Structure information along with thermodynamics evolution is analyzed to explain the significance. Different sizes of nanoparticle diameter, i.e., 5 nm, 10 nm, and 15 nm, were investigated with same heating rate. The results show that smallest diameter is suffered for total melting, while for larger nanoparticle small fractions remains. Thermodynamics information indicated the relation that smaller diameter will experience faster pressure oscillations period. While for larger system, the period is longer, but the pressure value become stronger. Structure analysis confirmed that the nanoparticles are melted at the end of the simulation.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/2193/1/012026