We study the structural and dynamical aspects of 13–atom binary rare-gas clusters of Ar and Xe using constant–energy molecular dynamics simulations. The ground state geometry for remains near-icosahedral, with an Ar atom occupying the central position. The thermodynamic properties of these clusters are significantly different from the pure 13-atom Ar or Xe clusters and for Xe–dominated compositions, melting is preceded by a surface–melting stage. Slow oscillations of the short-time-averaged (STA) temperature are observed both for surface–melting and complete melting stage, suggesting dynamical coexistence between different phases. At the complete melting stage, the oscillations in the STA temperature and the species of the central atom are correlated.
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1 January 1999
Research Article|
January 01 1999
Melting behavior of heterogenous atomic clusters: Gapless coexisting phases in
Vishal Mehra;
Vishal Mehra
School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110 067, India
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Awadhesh Prasad;
Awadhesh Prasad
School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110 067, India
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Ramakrishna Ramaswamy
Ramakrishna Ramaswamy
School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110 067, India
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J. Chem. Phys. 110, 501–507 (1999)
Article history
Received:
February 24 1997
Accepted:
September 24 1998
Citation
Vishal Mehra, Awadhesh Prasad, Ramakrishna Ramaswamy; Melting behavior of heterogenous atomic clusters: Gapless coexisting phases in . J. Chem. Phys. 1 January 1999; 110 (1): 501–507. https://doi.org/10.1063/1.478110
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