Appearance of metastable B2 phase during solidification of Ni50Zr50 alloy: electrostatic levitation and molecular dynamics simulation studies

Quirinale, D. G.; Rustan, G. E.; Wilson, S. R.; Kramer, M. J.; Goldman, A. I.; Mendelev, M. I.

doi:10.1088/0953-8984/27/8/085004

Appearance of metastable B2 phase during solidification of Ni₅₀Zr₅₀ alloy: electrostatic levitation and molecular dynamics simulation studies

Journal Article · Wed Feb 04 00:00:00 EST 2015 · Journal of Physics. Condensed Matter

DOI:https://doi.org/10.1088/0953-8984/27/8/085004· OSTI ID:1418495

Quirinale, D. G. ^[1]; Rustan, G. E. ^[2]; Wilson, S. R. ^[2]; Kramer, M. J. ^[2]; Goldman, A. I. ^[1]; Mendelev, M. I. ^[2]

Ames Lab., and Iowa State Univ., Ames, IA (United States)
Ames Lab., Ames, IA (United States)

Here high-energy x-ray diffraction measurements of undercooled, electrostatically levitated Ni₅₀Zr₅₀ liquid droplets were performed. The observed solidification pathway proceeded through the nucleation and growth of the metastable B2 phase, which persisted for several seconds before the rapid appearance of the stable B33 phase. This sequence is shown to be consistent with predictions from classical nucleation theory using data obtained from molecular dynamics (MD) simulations. A plausible mechanism for the B2–B33 transformation is proposed and investigated through further MD simulations.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1418495

Alternate ID(s):: OSTI ID: 1233226
OSTI ID: 1170023

Journal Information:: Journal of Physics. Condensed Matter, Journal Name: Journal of Physics. Condensed Matter Journal Issue: 8 Vol. 27; ISSN 0953-8984

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Cited By (1)

Evidence for the transition from primary to peritectic phase growth during solidification of undercooled Ni-Zr alloy levitated by electromagnetic field Lü, P.; Zhou, K.; Wang, H. P. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep39042	journal	December 2016

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