Springer Proceedings in Physics, pages 221-227
Study of Melting Phenomenon of a Palladium Nanocluster Using Molecular Dynamics Simulations
Soumya S Sarangi
1
Publication type: Book Chapter
Publication date: 2024-12-29
Journal:
Springer Proceedings in Physics
SJR: 0.135
CiteScore: 0.4
Impact factor: —
ISSN: 09308989, 18674941
Abstract
Nanoclusters have drawn the interest of scientists over the last few years due to their unique features. In this study, molecular dynamics simulations have been carried out by using 2nn-MEAM potentials to investigate the melting phenomenon of a palladium nanocluster of 7 nm diameter (5772 atoms). The melting temperature of the nanocluster is estimated from the variation of average potential energy per atom with respect to temperature. The calculated melting temperature is 1450
$$\pm 5$$
K, which is smaller than that of the bulk palladium crystal. The variation in radial distribution function and specific heat as a function of temperature illustrate the physical state of the nanocluster and confirm the melting temperature.
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