TY - JOUR
T1 - Structural model of orthorhombic ai3co
AU - Widom, M.
AU - Phillips, Rob
AU - Zou, J.
AU - Carlsson, A. E.
N1 - Funding Information:
of Materials Sciences, US Department of Energy, under Contract No. DE-ACOS-840R21400 with Martin Marietta Energy Systems, Inc.
Funding Information:
ACKNOWLEDGMENTS We are grateful to P. Launois for bringing the paper by Ma and Kuo (1992) to our attention. M. McHenry and M. de Graef offered useful comments on defects. We owe thanks to Serdar Ogut and Karin Rabe for supplying us with ab-initio results on structural energy differences used in creating our pair potentials. This work was supported by the US Department of Energy under Grant No. DE-FG02-84ER45 130 at Washington University and Grant No. DE-FG02-89ER45405 at Cornell University and by National Science Foundation Grant No. DMR-922 1596 at Carnegie Mellon University. Work at Oak Ridge National Laboratory is sponsored by the Division
PY - 1995/3
Y1 - 1995/3
N2 - The Al-Co alloy system contains a phase AI3CO of unknown structure. Recently Ma and Kuo determined its space group as Pnmn with lattice constants a = 12·5 Å, b = 8·1 Å and c = 14·6 Å. We propose a structural model for the orthorhombic phase of AI3CO including explicit atomic positions and occupancy factors. This model relates to the monoclinic phase of AI13CO4by periodic twinning. Our model displays mechanical and thermodynamic stability as determined using approximate pair potentials developed for the Al-Co alloys.
AB - The Al-Co alloy system contains a phase AI3CO of unknown structure. Recently Ma and Kuo determined its space group as Pnmn with lattice constants a = 12·5 Å, b = 8·1 Å and c = 14·6 Å. We propose a structural model for the orthorhombic phase of AI3CO including explicit atomic positions and occupancy factors. This model relates to the monoclinic phase of AI13CO4by periodic twinning. Our model displays mechanical and thermodynamic stability as determined using approximate pair potentials developed for the Al-Co alloys.
UR - https://www.scopus.com/pages/publications/1542419976
U2 - 10.1080/13642819508239042
DO - 10.1080/13642819508239042
M3 - Article
AN - SCOPUS:1542419976
SN - 1364-2812
VL - 71
SP - 397
EP - 406
JO - Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties
JF - Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties
IS - 3
ER -