Freezing of the hard-sphere liquid

1988 ◽  
Vol 38 (1) ◽  
pp. 808-810 ◽  
Author(s):  
Milorad Popović ◽  
Marko V. Jarić
2003 ◽  
Vol 90 (14) ◽  
Author(s):  
M. V. Mostovoy ◽  
D. I. Khomskii ◽  
J. Knoester ◽  
N. V. Prokof’ev

2005 ◽  
Vol 94 (15) ◽  
Author(s):  
T. Scopigno ◽  
R. Di Leonardo ◽  
L. Comez ◽  
A. Q. R. Baron ◽  
D. Fioretto ◽  
...  

Author(s):  
Felipe Carvalho ◽  
João Pedro Braga

Establishment of the radial distribution function by solving the Ornstein-Zernike equation is still an important problem, even more than a hundred years after the original paper publication. New strategies and approximations are common in the literature. A crucial step in this process consists in defining a closure relation which retrieves correlation functions in agreement with experiments or molecular simulations. In this paper, the functional Taylor expansion, as proposed by J. K. Percus, is applied to introduce two new closure relations: one that modifies the Percus‑Yevick closure relation and another one modifying the Hypernetted-Chain approximation. These new approximations will be applied to a hard sphere system. An improvement for the radial distribution function is observed in both cases. For some densities a greater accuracy, by a factor of five times compared to the original approximations, was obtained.


2015 ◽  
Vol 12 (12) ◽  
pp. 5654-5658
Author(s):  
Xiao-Song Wang ◽  
Zhi-Bo Yang ◽  
Aijun Hu ◽  
Long Zhou ◽  
Bao-Zhan Lv

1994 ◽  
Vol 50 (5) ◽  
pp. 3916-3924 ◽  
Author(s):  
Chandan Dasgupta ◽  
Oriol T. Valls

1994 ◽  
Vol 50 (1-3) ◽  
pp. 47-61 ◽  
Author(s):  
Lisa M. Lust ◽  
Oriol T. Valls ◽  
Chandan Dasgupta

Author(s):  
M. S. S. Chowdhury ◽  
Mohammad A. Rashid ◽  
M. A. Rahman ◽  
A. Z. Ziauddin Ahmed

In this present study we have systematically calculated the free energy of formation for FexNi1-x binary alloys at a thermodynamic state T = 1920 K. A microscopic theory bases on first order perturbation theory along with a reference hard sphere liquid has been applied. The interionic interaction is described by Bretonnet-Silbert local pseudopotential that capable of takes into account the s-d hybridization in electro-ion interaction in transition metals. The effective hard sphere diameters have been determined using linearized Weeks-Chandler-Andersen (LWCA) perturbation theory and the partial structure calculated in line with Ashcroft and Langreths original work. The calculated theoretical value and available experimental data for free energy of formation are in agreement quite satisfactorily.


Sign in / Sign up

Export Citation Format

Share Document