scholarly journals New evaluation of reconstructed spatial distribution function from radial distribution functions

2006 ◽  
Vol 125 (11) ◽  
pp. 114102 ◽  
Author(s):  
Daisuke Yokogawa ◽  
Hirofumi Sato ◽  
Shigeyoshi Sakaki
Author(s):  
Mai Thi Lan ◽  
Nguyen Thi Thao

We use the Oganov potentials and period boundary condition to perform molecular dynamics simulation of amorphous and liquid Mg2SiO4 systems under pressures 0 GPa and 40 GPa. We clarify structure of amorphous Mg2SiO4 at 0 and 40 GPa and compared with the one of Mg2SiO4 at liquid state. Especially, the origin of sub-peaks in radial distribution function of O-O, Si-Si and Mg-Mg pairs is explained clearly. The change of radial distribution functions, coordination number and the number of all types of bonds including the corner-, edge- and face-sharing bonds is also discussed in detail in this paper.


1986 ◽  
Vol 19 (3) ◽  
pp. 198-199
Author(s):  
F. Hajdu ◽  
G. Herms

The interpretation of a relationship between measured intensities and the radial distribution function given in the paper `The accuracy of experimental radial distribution functions for metallic glasses' [Thijsse (1984). J. Appl. Cryst. 17, 61–76] is disputed.


2009 ◽  
Vol 08 (supp01) ◽  
pp. 943-956 ◽  
Author(s):  
JALAL S. EMAMPOUR ◽  
ALI MORSALI ◽  
S. ALI BEYRAMABADI

The heat capacities and Joule–Thomson coefficients have been evaluated using three known analytical expressions for radial distribution functions (RDFs). Using such approach not only tests the power of distribution functions theory in predicting the heat capacities and Joule–Thomson coefficients, but also specifies better expressions in determining these properties. To calculate these quantities, the variation of RDF with density and temperature is required. Therefore, we should have analytical expressions which explicitly present RDF as a function of temperature, density, and interparticle distance. It is shown that if an expression is used which properly presents RDFs as a function of interparticle distance, density, and temperature, it is possible to calculate heat capacities and Joule–Thomson coefficients from distribution function theory.


1997 ◽  
Vol 7 (C2) ◽  
pp. C2-577-C2-578 ◽  
Author(s):  
D. V. Surnin ◽  
D. E. Denisov ◽  
Yu. V. Ruts ◽  
P. M. Knjazev

AIP Advances ◽  
2018 ◽  
Vol 8 (8) ◽  
pp. 085108
Author(s):  
Ching-Yen Ho ◽  
Bor-Chyuan Chen ◽  
Chang-Wei Xiong ◽  
Si-Li Fan ◽  
Song-Feng Wan ◽  
...  

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