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)
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pp. 17398-17403
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Keyword(s):
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.
Keyword(s):
2011 ◽
Vol 21
(4)
◽
pp. 275-281
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2001 ◽
Vol 11
(4)
◽
pp. 351-363
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2006 ◽
Vol 18
(1-2)
◽
pp. 61-69
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Keyword(s):