The static structure factor of amorphous silicon and vitreous silica
Liquids are in thermal equilibrium and have a non-zero static structure factor S(Q->0) = [-^2]/ = rho*k_B*T*Chi_T where rho is the number density, T is the temperature, Q is the scattering vector and Chi_T is the isothermal compressibility. The first part of this result involving the number N (or...
Gespeichert in:
Hauptverfasser: | , |
---|---|
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext bestellen |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Zusammenfassung: | Liquids are in thermal equilibrium and have a non-zero static structure
factor S(Q->0) = [-^2]/ = rho*k_B*T*Chi_T where rho is the number
density, T is the temperature, Q is the scattering vector and Chi_T is the
isothermal compressibility. The first part of this result involving the number
N (or density) fluctuations is a purely geometrical result and does not involve
any assumptions about thermal equilibrium or ergodicity and so is obeyed by all
materials. From a large computer model of amorphous silicon, local number
fluctuations extrapolate to give S(0) = 0.035+/-0.001. The same computation on
a large model of vitreous silica using only the silicon atoms and rescaling the
distances gives S(0) = 0.039+/-0.001, which suggests that this numerical result
is robust and similar for all amorphous tetrahedral networks. For vitreous
silica, we find that S(0) = 0.116+/-0.003, close to the experimental value of
S(0) = 0.0900+/-0.0048 obtained recently by small angle neutron scattering.
More detailed experimental and modelling studies are needed to determine the
relationship between the fictive temperature and structure. |
---|---|
DOI: | 10.48550/arxiv.0909.2457 |