Melting behaviour of gold-platinum nanoalloy clusters by molecular dynamics simulations

Journal Article · Fri Apr 24 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4915226· OSTI ID:22391548

Ong, Yee Pin; Yoon, Tiem Leong ^[1]; Lim, Thong Leng ^[2]

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1. School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)
2. Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

The melting behavior of bimetallic gold-platinum nanoclusters is studied by applying Brownian-type isothermal molecular dynamics (MD) simulation, a program modified from the cubic coupling scheme (CCS). The process begins with the ground-state structures obtained from global minimum search algorithm and proceeds with the investigation of the effect of temperature on the thermal properties of gold-platinum nanoalloy clusters. N-body Gupta potential has been employed in order to account for the interactions between gold and platinum atoms. The ground states of the nanoalloy clusters, which are core-shell segregated, are heated until they become thermally segregated. The detailed melting mechanism of the nanoalloy clusters is studied via this approach to provide insight into the thermal stability of the nanoalloy clusters.

• OSTI ID: 22391548
• Journal Information: AIP Conference Proceedings, Vol. 1657, Issue 1; Conference: PERFIK 2014: National Physics Conference 2014, Kuala Lumpur (Malaysia), 18-19 Nov 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
77 NANOSCIENCE AND NANOTECHNOLOGY
ALGORITHMS
ATOMIC CLUSTERS
COMPUTERIZED SIMULATION
COUPLING
GOLD
GROUND STATES
INTERMETALLIC COMPOUNDS
MELTING
MOLECULAR DYNAMICS METHOD
NANOSTRUCTURES
PHASE STABILITY
PLATINUM
POTENTIALS
TEMPERATURE DEPENDENCE
THERMODYNAMIC PROPERTIES