Thermodynamics of simple liquid metals calculated using an analytic pair potential

1991 ◽  
Vol 13 (5) ◽  
pp. 565-570
Author(s):  
T. M. A. Khajil ◽  
M. Tomak
Keyword(s):  
Liquid Metals ◽  
Pair Potential ◽  
Simple Liquid

A theoretical study of the structure and dynamics of amorphous Fe

1992 ◽  
Vol 70 (8) ◽  
pp. 627-630 ◽  
Author(s):  
Neelam Gupta ◽  
Kamal C. Jain ◽  
Arun Pratap ◽  
N. S. Saxena
Keyword(s):  
Transition Metal ◽  
Theoretical Study ◽  
Liquid Metals ◽  
Pair Potential ◽  
Good Qualitative Agreement ◽  
Isothermal Bulk Modulus ◽  
Structure And Dynamics ◽  
Pair Potentials ◽  
Molecular Dynamics Results ◽  
Theoretical Results

The extended theory of transition-metal potential, which includes the transition-metal d states, is used to obtain the effective interatomic interactions in terms of pair potential for amorphous Fe. Pair potential for amorphous Fe is also computed using a simple approach for liquid metals given by de-Angelis and March. We employ the so obtained pair potentials to calculate the longitudinal- and transverse-phonon eigenfrequencies using the theory of phonons in amorphous solids. The results for the phonon eigenfrequencies obtained from these potentials are in good qualitative agreement with the molecular-dynamics results as well as with the theoretical results of Bhatia and Singh. Computation of the Debye temperature and the isothermal bulk modulus also shows a close agreement with other results.

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