@article{8beb2e394f2243aa878474e69aadfc10,
title = "Structural stability of Ni-Mo compounds from first-principles calculations",
abstract = "The Ni-Mo alloy system is studied. In contrast to the existing Ni-Mo binary phase diagram that shows three stable compounds, β-Ni 4Mo, γ-Ni 3Mo, and δ-NiMo, it is determined that δ-NiMo is meta-stable at very low temperatures. It is also discovered that two additional compounds, Ni 2Mo and Ni 8Mo are stable at 0K.",
author = "Y. Wang and C. Woodward and Zhou, {S. H.} and Liu, {Z. K.} and Chen, {L. Q.}",
note = "Funding Information: This work is supported by the NASA UEET program under Grant No. NCC3-920. The authors wish to thank Dr. Jorge Sofo for his valuable help and advice. Calculations were carried out on the IBM-SP3 supported by the DOD High Performance Computer Modernization Program at the ASC-MSRC, and the LION-XL cluster at the Pennsylvania State University supported in part by the NSF grants (DMR-0205232, DMR-9983532 and DMR-0122638) and in part by the Materials Simulation Center at the Pennsylvania State University. ",
year = "2005",
month = jan,
doi = "10.1016/j.scriptamat.2004.09.007",
language = "English (US)",
volume = "52",
pages = "17--20",
journal = "Scripta Materialia",
issn = "1359-6462",
publisher = "Elsevier Limited",
number = "1",
}