Investigation of partitionless growth of ε -Al 60 Sm 11 phase in Al-10 at% Sm liquid

Sun, Yang; Ye, Zhuo; Zhang, Feng; Jun Ding, Ze; Wang, Cai-Zhuang; Kramer, Matthew J.; Ho, Kai-Ming

doi:10.1088/1361-651X/aa9747

Investigation of partitionless growth of ε -Al ₆₀ Sm ₁₁ phase in Al-10 at% Sm liquid

Journal Article · Fri Dec 08 00:00:00 EST 2017 · Modelling and Simulation in Materials Science and Engineering

DOI:https://doi.org/10.1088/1361-651X/aa9747· OSTI ID:1411952

^[1]; Ye, Zhuo ^[2]; Zhang, Feng ^[2]; Jun Ding, Ze ^[3]; ^[4]; Kramer, Matthew J. ^[2]; Ho, Kai-Ming ^[5]

Ames Lab., Ames, IA (United States); Univ. of Science and Technology of China, Hefei (China). Hefei National Lab. for Physical Sciences at the Microscale
Ames Lab., Ames, IA (United States)
Univ. of Science and Technology of China, Hefei (China). Hefei National Lab. for Physical Sciences at the Microscale
Ames Lab., Ames, IA (United States) ; Iowa State Univ., Ames, IA (United States). Dept. of Physics
Ames Lab., Ames, IA (United States); Univ. of Science and Technology of China, Hefei (China). Hefei National Lab. for Physical Sciences at the Microscale; Iowa State Univ., Ames, IA (United States). Dept. of Physics

Recent experiments on devitrification of Al₉₀Sm₁₀ amorphous alloys revealed an unusual polymorphic transformation to a complex cubic crystal structure called the ε-Al₆₀Sm₁₁ phase. Molecular dynamics simulations of the growth of the stoichiometric ε-phase seed in contact with an undercooled Al-10 at% Sm liquid are performed to elucidate the microscopic process of transformation. The as-grown crystal and undercooled liquid possess similar local order around Al atoms whereas a rigid network defined by the Sm sub-lattice develops during the growth. Using a template-cluster alignment method, we define an order parameter to characterize the structural evolution in the system. Estimates of the attachment rate is $${R}_{{\rm{a}}}=8.70\times {10}^{-4}$$ Å-2 ns-1 and detachment rate is $${R}_{{\rm{d}}}=3.83\times {10}^{-4}$$ Å-2 ns-1 at the interface between ε-Al₆₀Sm₁₁ and Al-10 at% Sm liquid at 800 K.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1411952

Report Number(s):: IS--J-9478

Journal Information:: Modelling and Simulation in Materials Science and Engineering, Journal Name: Modelling and Simulation in Materials Science and Engineering Journal Issue: 1 Vol. 26; ISSN 0965-0393

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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