Observation of η-Al41Sm5 reveals motif-aware structural evolution in Al-Sm alloys

Dataset · Thu Jan 03 00:00:00 EST 2019

DOI:https://doi.org/10.25380/iastate.7464500.v1· OSTI ID:1525447

Ye, Zhou; Meng, Fanqiang; Zhang, Feng; Sun, Yang; Yang, Lin; Zhou, Shihuai; Napolitano, Ralph; Mendelev, Mikhail; Ott, Ryan; Kramer, Matt; Wang, Cai-Xhuang; Ho, Kai-Ming

Using an effective genetic algorithm, we uncover the structure of a metastable Al41Sm5 phase that supplements its family sharing similar short-range orders. The phase evolves upon heating an amorphous Al-9.7at.%Sm ribbon, produced by melt-spinning. The dynamical phase selection is discussed with respect to the structural connections between the short-range packing motifs in the amorphous precursor and those observed in the selected phases. This dataset includes information such as the crystal structure of Al41Sm5, the short-range packing motifs, experimental and calculated XRD, formation energy of stable and meta-stable phases in the Al-Sm system.

• Research Organization: Ames Lab., Ames, IA (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: AC02-07CH11358
• OSTI ID: 1525447
• Report Number(s): DS-722
• Country of Publication: United States
• Language: English