Journal article icon

Journal article

Interpretation of x-ray and neutron diffraction patterns for liquid and amorphous yttrium and lanthanum aluminum oxides from computer simulation

Abstract:

Simulation models, based on an ionic description of closed-shell species and which incorporate many-body polarization effects, are derived for both yttrium and lanthanum aluminates using physically transparent mixing and scaling arguments. Three compositions (20% Y2O3/80% Al2O3, 25% Y2O3/75% Al 2O3, and 25% La2O3/75% Al 2O3) are studied in detail. The models are validated by direct comparison with the recently determined x-ray and neutron diffraction patterns. The complementary nature of the ...

Expand abstract
Publication status:
Published

Actions


Access Document


Publisher copy:
10.1103/PhysRevB.69.054206

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
Physical Review B
Volume:
69
Issue:
5
Pages:
542061-5420611
Publication date:
2004-02-01
DOI:
EISSN:
1550-235X
ISSN:
1098-0121
Source identifiers:
60120
Language:
English
Pubs id:
pubs:60120
UUID:
uuid:223b07a0-465f-41f6-a4e6-ef7ea96737f8
Local pid:
pubs:60120
Deposit date:
2012-12-19

Terms of use


Views and Downloads






If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP