scholarly journals Positional recurrence maps, a powerful tool to de-correlate static and dynamical disorder in distribution maps from molecular dynamics simulations: the case of Nd2NiO4+d

2016 ◽  
Vol 18 (26) ◽  
pp. 17398-17403 ◽  
Author(s):  
A. Piovano ◽  
A. Perrichon ◽  
M. Boehm ◽  
M. R. Johnson ◽  
W. Paulus

In order to investigate the on-site motion of the diffusive species in crystalline solids, we have implemented a code to perform a time-summation of displacements of specific atoms, involving symmetry and adapted projections.

Sign in / Sign up

Export Citation Format

Share Document