Molecular-dynamics simulation for the dynamic-structure factor of commensurate krypton on graphite

1991 ◽  
Vol 44 (7) ◽  
pp. 3297-3303 ◽  
Author(s):  
N. D. Shrimpton ◽  
W. A. Steele
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structure Factor ◽  
Dynamic Structure ◽  
Dynamic Structure Factor ◽  
Dynamics Simulation

Dynamic structure factor in a nonequilibrium fluid: A molecular-dynamics approach

1992 ◽  
Vol 45 (10) ◽  
pp. 7180-7183 ◽  
Author(s):  
M. Mareschal ◽  
M. Malek Mansour ◽  
G. Sonnino ◽  
E. Kestemont
Keyword(s):  
Molecular Dynamics ◽  
Structure Factor ◽  
Dynamic Structure ◽  
Dynamic Structure Factor

Local Dynamics of Polyethylene and Its Oligomers:  A Molecular Dynamics Interpretation of the Incoherent Dynamic Structure Factor

2003 ◽  
Vol 36 (23) ◽  
pp. 8864-8875 ◽  
Author(s):  
G. Arialdi ◽  
K. Karatasos ◽  
J.-P. Ryckaert ◽  
V. Arrighi ◽  
F. Saggio ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Structure Factor ◽  
Dynamic Structure ◽  
Dynamic Structure Factor ◽  
Local Dynamics

Ionic Overlayers on Corrugated Surfaces III : Dynamics in the Fluid Phase

1992 ◽  
Vol 291 ◽  
Author(s):  
Hyangsuk Seong ◽  
S.D. Mahanti
Keyword(s):  
Structure Factor ◽  
Diffusion Constant ◽  
Fluid Phase ◽  
Dynamic Structure ◽  
Dynamic Structure Factor ◽  
Dynamics Simulation ◽  
Peak Width ◽  
Corrugated Surfaces ◽  
Scattering Measurements ◽  
Simulation Results

ABSTRACTUsing molecular dynamics simulation, we have studied the dynamics in the fluid phase of ionic overlayers on corrugated substrates. This is a good model to probe the dynamics of intercalants inside the galleries of intercalated systems. We have calculated the diffusion constant from the incoherent dynamic structure factor, de Genne oscillations in the q-dependence of the Rayleigh peak width and dispersion of Brillouin peaks have been obtained from the coherent dynamic structure factor. These results are compared with neutron scattering measurements in stage-2 RbC24 and earlier simulation results.

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