Effective pair potential and dynamic correlations in Ni53B47 melt

Gopala Rao, R. V. ; Debnath, D. (1993) Effective pair potential and dynamic correlations in Ni53B47 melt Physica Status Solidi B, 175 (1). pp. 57-65. ISSN 0370-1972

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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/pssb.22...

Related URL: http://dx.doi.org/10.1002/pssb.2221750103


Using experimental values the structure factor of the Ni53B47 melt measured by Nassif et al., the potential function is derived through the use of Rao-Joarder's equation. The calculated potential function exhibits a repulsive hump corresponding to the first nearest-neighbour distance. The potential function is also calculated using Percus-Yevick (PY) and hyper-netted chain (HNC) equations. In all the cases the repulsive hump appears. The nearest-neighbour distances obtained by different methods are compared and found in fair agreement with each other. The potential function is used in the evaluation of phonon frequencies. From these phonon frequencies the elastic constants are computed. They are also calculated from I1 and I2 integrals of Schofield. Using the potential function, the characteristic frequency is also calculated and compared with the average frequency by other methods.

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Deposited On:22 Dec 2010 09:47
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