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Shining a light on amorphous U2O7: A computational approach to understanding amorphous uranium materials...

Publication Type
Conference Paper
Journal Name
Optical Materials
Publication Date
Page Numbers
295 to 298
Volume
89
Issue
0
Conference Name
Europhysical Defects in Insulating Materials
Conference Location
Bydogoszcz, Poland
Conference Sponsor
University of Bydgoszcz
Conference Date
-

Mixed-phase and low-symmetry systems are widely observed among uranium oxide materials. Amorphous-U2O7 forms during the calcination of studtite, a uranyl peroxide mineral. Using a genetic algorithm search for stable crystalline phases, we have identified a potentially stable phase of U2O7 that shares structural features with experimentally observed amorphous U2O7 samples. The crystalline structure is expected to undergo a solid–solid phase change around 12 GPa.