Atomic-Level Study of Melting Behavior of GaN Nanotubes

Journal Article · Wed Sep 20 04:00:00 EDT 2006 · Journal of Applied Physics, 100(06):063503, 1-6

DOI:https://doi.org/10.1063/1.2345616· OSTI ID:893659

Wang, Zhiguo; Zu, Xiaotao; Gao, Fei; Weber, William J

Molecular dynamics simulations with a Stillinger-Weber potential have been used to investigate the melting behavior of wurtzite-type single crystalline GaN nanotubes. The simulations show that the melting temperature of GaN nanotubes is much lower than that of bulk GaN, which may be associated with the large surface-to-volume ratio of the nanotubes. The melting temperature of the GaN nanotubes increases with the thickness of the nanotubes to a saturation value, which is close to the melting temperature of a GaN slab. The results reveal that the nanotubes begin to melt at the surface, and then the melting rapidly extends to the interior of the nanotubes as the temperature increases. The melting temperature of a single-crystalline GaN nanotube with [100]-oriented lateral facets is higher than that with [110]-oriented lateral facets for the same thickness.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 893659
• Report Number(s): PNNL-SA-49925; 8208; KC0201020
• Journal Information: Journal of Applied Physics, 100(06):063503, 1-6, Journal Name: Journal of Applied Physics, 100(06):063503, 1-6
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Computer Simulation
Environmental Molecular Sciences Laboratory
GALLIUM NITRIDES
GaN
MELTING
MOLECULAR DYNAMICS METHOD
Melting behavior
NANOTUBES
Nanotubes