Computer simulations of nearest-neighbor distribution functions and related quantities for hard-sphere systems

1990 ◽  
Vol 167 (2) ◽  
pp. 361-383 ◽  
Author(s):  
S. Torquato ◽  
Sang Bub Lee
Keyword(s):  
Computer Simulations ◽  
Hard Sphere ◽  
Nearest Neighbor ◽  
Distribution Functions

Simulation studies of nearest-neighbor distribution functions and related structural properties for hard-sphere systems

2000 ◽  
Vol 17 (3) ◽  
pp. 351-356 ◽  
Author(s):  
Soong-Hyuck Suh ◽  
Woong-Ki Min ◽  
Viorel Chihaia ◽  
Jae-Wook Lee ◽  
Soon-Chul Kim
Keyword(s):  
Structural Properties ◽  
Hard Sphere ◽  
Nearest Neighbor ◽  
Distribution Functions ◽  
Simulation Studies

Structural properties of amorphous aluminum and aluminum-nitrogen alloys. Computer simulations

2004 ◽  
Vol 848 ◽  
Author(s):  
Ariel A. Valladares ◽  
Alexander Valladares ◽  
R. M. Valladares ◽  
A. Calles
Keyword(s):  
Physical Properties ◽  
Computer Simulations ◽  
First Principles ◽  
Hard Sphere ◽  
Distribution Functions ◽  
Radial Distribution Functions ◽  
Semiconducting Materials ◽  
Atomic Structures ◽  
Lennard Jones ◽  
Nitrogen Alloy

AbstractLiquid and amorphous metallic systems have proven difficult to model. Some efforts have relied on the use of parameterized classical potentials of the Lennard-Jones type or geometric hard sphere simulations, but first principles approaches have been rarely used. Clearly a knowledge of atomic structures is paramount for calculating physical properties. In this work we apply our recently developed ab initio DFT approach (A. A. Valladares et al., Eur. Phys. J. 22 (2001) 443) for the generation of amorphous semiconducting materials, to amorphize aluminum and an aluminum-nitrogen alloy. We report radial distribution functions (RDFs) and specific atomic structures of periodic amorphous/liquid cubic supercells of 108 atoms with a volume of (12.1485 Å)3, generated using the Harris functional.

Distribution Functions of a Hard-Sphere Fermi Gas

1967 ◽  
Vol 160 (1) ◽  
pp. 225-236 ◽  
Author(s):  
A. Isihara ◽  
Arun K. Gupta
Keyword(s):  
Hard Sphere ◽  
Fermi Gas ◽  
Distribution Functions

Flow heterogeneity and correlations in a sheared hard sphere glass: Insight from computer simulations

2013 ◽  
Author(s):  
Suvendu Mandal ◽  
Markus Gross ◽  
Dierk Raabe ◽  
Fathollah Varnik
Keyword(s):  
Computer Simulations ◽  
Hard Sphere ◽  
Flow Heterogeneity

Optimised Cluster Theory for the Triangular Well Potential

1980 ◽  
Vol 35 (4) ◽  
pp. 412-414
Author(s):  
K. N. Swamy ◽  
P. C. Wankhede
Keyword(s):  
Monte Carlo ◽  
Radial Distribution ◽  
Hard Sphere ◽  
Distribution Functions ◽  
Radial Distribution Functions ◽  
Sphere Diameter ◽  
Cluster Theory ◽  
Monte Carlo Calculations ◽  
Triangular Well Potential

Abstract The optimised cluster theory of Andersen and Chandler has been applied to calculate the radial distribution functions of a triangular well fluid with the width a the hard sphere diameter The results agree well with Monte Carlo Calculations of Card and Walkley.

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