On the Entropy of the Hard Sphere Fluid

1991 ◽  
Vol 46 (1-2) ◽  
pp. 27-31 ◽  
Author(s):  
Andräs Baranyai ◽  
Denis J. Evans
Keyword(s):  
Computer Simulation ◽  
Correlation Functions ◽  
Hard Sphere ◽  
Structural Information ◽  
Excess Entropy ◽  
Higher Order ◽  
Particle Correlation ◽  
Hard Sphere Fluid ◽  
Three Body ◽  
Fluid Configuration

AbstractThe expansion of the entropy into one-body, two-body, three-body, etc. contributions was applied to estimate the excess entropy of the hard sphere fluid. Configuration samples provided by computer simulation were used to determine the two-particle and three-particle correlation functions. The results show that even at intermediate densities a non-negligible part of the structural information is represented by four-body and higher order correlations.

On the correlation functions for the hard sphere fluid

1970 ◽  
Vol 18 (3) ◽  
pp. 429-431 ◽  
Author(s):  
D. Henderson ◽  
R.O. Watts
Keyword(s):  
Correlation Functions ◽  
Hard Sphere ◽  
Hard Sphere Fluid

Statistical Geometry and Cavity Correlations in the Hard Sphere Fluid

2008 ◽  
Vol 73 (3) ◽  
pp. 344-357 ◽  
Author(s):  
Robin J. Speedy ◽  
Richard K. Bowles
Keyword(s):  
Computer Simulation ◽  
Thermodynamic Properties ◽  
Hard Sphere ◽  
Hard Spheres ◽  
Sphere Diameter ◽  
Statistical Geometry ◽  
Empirical Expression ◽  
Hard Sphere Fluid ◽  
A Site ◽  
Exact Relations

The statistical geometry of a system of hard spheres is discussed in terms of the volumes Vj that lie with a sphere diameter, σ, of exactly j sphere centres. A site that has no sphere centre within σ is called a cavity site. We focus on the probability n00(r) that two sites separated by r are both cavity sites. n00(0), n00(σ), and the limiting slope (d ln n00(r)/dr)r=0, are all known in terms of the thermodynamic properties. The Vj and n00(r) are measured by computer simulation and an empirical expression, which satisfies the known exact relations, is shown to represent n00(r) precisely in the range 0 ≤ r ≤ σ.

Electron Speckle and Higher-Order Correlation Functions from Amorphous Thin Films

1996 ◽  
Vol 455 ◽  
Author(s):  
J. Murray Gibson ◽  
M. M. J. Treacy ◽  
D. Loretto
Keyword(s):  
Correlation Functions ◽  
Structural Changes ◽  
Higher Order ◽  
Amorphous Semiconductor ◽  
Amorphous Semiconductors ◽  
Range Order ◽  
Semiconductor Films ◽  
Medium Range Order ◽  
Medium Range ◽  
Three Body

ABSTRACTWe obtain valuable information about medium-range order in amorphous semiconductors from variable coherence microscopy, a new quantitative approach to TEM. The technique reveals three-body and higher-order atomic correlation functions, which are sensitive to medium-range order. Preliminary experimental evidence for structural changes on annealing has been found for amorphous semiconductor films, with pronounced medium-range order seen only in unannealed films.

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