Loading...
Loading...

Go to the content (press return)

The structure of molten AgCl revisited

Author
Trullas, J.; Alcaraz, O.; Silbert, M.
Type of activity
Journal article
Journal
Journal of non-crystalline solids
Date of publication
2002-09
Volume
312-314
First page
438
Last page
442
Repository
http://hdl.handle.net/2117/10232 Open in new window
URL
http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TXM-46RD39T-4-1&_cdi=5594&_user=1517299&_pii=S0022309302017076&_origin=browse&_zone=rslt_list_item&_coverDate=10%2F31%2F2002&_sk=996879999&wchp=dGLbVlb-zSkWb&md5=7b95eb1c5626276bc71d80a12d27c3a8&ie=/sdarticle.pdf Open in new window
Abstract
We have studied the total structure of molten AgCl at 1073 K by means of two polarizable ion models via molecular dynamics simulations. The model potentials consisted of either the Vashishta–Rahman (VR) or the Born–Mayer rigidion potentials to which the anion-induced polarization contribution is added. Both model potentials reproduce well the main features of the structure of molten AgCl with that using the VR model potential giving marginally better results.
Citation
Trullàs, J.; Alcaraz, O.; Silbert, M. The structure of molten AgCl revisited. "Journal of non-crystallne solids", Setembre 2002, vol. 312-314, p. 438-442.
Group of research
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants