Melting of gold nanoparticle: study on structural evolution

Melting of gold nanoparticle: study on structural evolution

We investigate the structural evolution on melting of Gold nanoparticle due to heat treatment from room temperature up to slightly above melting point. The evolution is followed using Molecular Dynamics (MD) simulation. Structure factor and pair distribution function calculation indicated that the s...

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Veröffentlicht in:Journal of physics. Conference series 2019-12, Vol.1402 (6), p.66009
Hauptverfasser: Fahdiran, R, Handoko, E, Sugihartono, I, Sunaryo, S, Budi, E, Susila, A B, Budi, S
Format: Artikel
Sprache:eng
Schlagworte:
Distribution functions
Evolution
Gold
Heat treatment
Melting points
Molecular dynamics
Molecular structure
Nanoparticles
Phase transitions
Physics
Room temperature
Structure factor
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Zusammenfassung:We investigate the structural evolution on melting of Gold nanoparticle due to heat treatment from room temperature up to slightly above melting point. The evolution is followed using Molecular Dynamics (MD) simulation. Structure factor and pair distribution function calculation indicated that the system is melted at the end of simulation. Common Neighbour Analysis (CNA) method shows the local lattice structure transformation confirming phase transition.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/1402/6/066009