Mean-square atomic displacement of alkali-metal atoms: A comparison of the lattice-dynamics and molecular-dynamics results

1986 ◽  
Vol 33 (4) ◽  
pp. 2152-2157 ◽  
Author(s):  
Ramesh C. Shukla ◽  
Gernot A. Heiser
1991 ◽  
Vol 46 (7) ◽  
pp. 616-620 ◽  
Author(s):  
Junko Habasaki

MD simulation has been performed to learn the microscopic mechanism of diffusion of ions in the Li2SiO3 system. The motion of lithium ions can be explained by the trapping model, where lithium is trapped in the polyhedron and moves with fluctuation of the coordination number. The mean square displacement of lithium was found to correlate well with the net changes in coordination number.


ChemPhysChem ◽  
2012 ◽  
Vol 14 (4) ◽  
pp. 716-722 ◽  
Author(s):  
Andreas W. Hauser ◽  
Thomas Gruber ◽  
Michael Filatov ◽  
Wolfgang E. Ernst

1990 ◽  
Vol 53 (4) ◽  
pp. 1003-1007 ◽  
Author(s):  
Yu. K. Gabrielyan ◽  
A. �. Mailyan ◽  
G. Ts. Nersisyan ◽  
V. O. Papanyan ◽  
S. A. Ter-Avetisyan

2018 ◽  
Vol 44 (10) ◽  
pp. 860-861 ◽  
Author(s):  
S. P. Dmitriev ◽  
N. A. Dovator ◽  
E. N. Pestov ◽  
V. A. Kartoshkin ◽  
A. I. Okunevich

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