Local chemical ordering within the incubation period as a trigger for nanocrystallization of a highly supercooled Ti-based liquid

Zhi Wang; Chunlin Chen; Sergey V. Ketov; Kazuto Akagi; Andrey A. Tsarkov; Yuichi Ikuhara; Dmitri V. Louzguine-Luzgin

doi:10.1016/j.matdes.2018.07.013

Local chemical ordering within the incubation period as a trigger for nanocrystallization of a highly supercooled Ti-based liquid

Zhi Wang, Chunlin Chen, Sergey V. Ketov, Kazuto Akagi, Andrey A. Tsarkov, Yuichi Ikuhara, Dmitri V. Louzguine-Luzgin

Advanced Institute for Materials Research (AIMR)

Research output: Contribution to journal › Article › peer-review

12 Citations (Scopus)

Abstract

In the present work we study nanocrystallization of the Ti₅₀Ni₂₃Cu₂₂Sn₅ alloy within the supercooled liquid region by using a state-of-the-art experimental technique with elemental mapping at near-atomic resolution especially focusing on the incubation period which is still poorly understood from both the theoretical and experimental viewpoint. Molecular dynamics (MD) simulation results performed for the Ti₅₅Ni₄₅ liquid acting as a simplified model system of the (Ti,Sn)₅₅(Ni,Cu)₄₅ alloy illustrate the process of nucleation and provide some additional suggestions. The experiment and MD results indicate formation of nanometer-range chemical rearrangements which are supposed to reduce the energy barrier in the complex energy landscape finally leading to a high density of homogeneously nucleating crystallites after the completion of a macroscopically observed incubation period.

Original language	English
Pages (from-to)	504-513
Number of pages	10
Journal	Materials and Design
Volume	156
DOIs	https://doi.org/10.1016/j.matdes.2018.07.013
Publication status	Published - 2018 Oct 15

Keywords

Chemical inhomogeneity
Energy barrier
Metallic glass
Nucleation
Supercooled liquid

ASJC Scopus subject areas

Materials Science(all)
Mechanics of Materials
Mechanical Engineering

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10.1016/j.matdes.2018.07.013

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Local chemical ordering within the incubation period as a trigger for nanocrystallization of a highly supercooled Ti-based liquid. / Wang, Zhi; Chen, Chunlin; Ketov, Sergey V.; Akagi, Kazuto; Tsarkov, Andrey A.; Ikuhara, Yuichi; Louzguine-Luzgin, Dmitri V.

In: Materials and Design, Vol. 156, 15.10.2018, p. 504-513.

Research output: Contribution to journal › Article › peer-review

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title = "Local chemical ordering within the incubation period as a trigger for nanocrystallization of a highly supercooled Ti-based liquid",

abstract = "In the present work we study nanocrystallization of the Ti50Ni23Cu22Sn5 alloy within the supercooled liquid region by using a state-of-the-art experimental technique with elemental mapping at near-atomic resolution especially focusing on the incubation period which is still poorly understood from both the theoretical and experimental viewpoint. Molecular dynamics (MD) simulation results performed for the Ti55Ni45 liquid acting as a simplified model system of the (Ti,Sn)55(Ni,Cu)45 alloy illustrate the process of nucleation and provide some additional suggestions. The experiment and MD results indicate formation of nanometer-range chemical rearrangements which are supposed to reduce the energy barrier in the complex energy landscape finally leading to a high density of homogeneously nucleating crystallites after the completion of a macroscopically observed incubation period.",

keywords = "Chemical inhomogeneity, Energy barrier, Metallic glass, Nucleation, Supercooled liquid",

author = "Zhi Wang and Chunlin Chen and Ketov, {Sergey V.} and Kazuto Akagi and Tsarkov, {Andrey A.} and Yuichi Ikuhara and Louzguine-Luzgin, {Dmitri V.}",

note = "Funding Information: The authors gratefully acknowledge the financial support received from the World Premier International Research Center Initiative (WPI), MEXT , Japan; by the Fusion Research grant {"}Nucleation - structural formation dynamics of nanomaterials{"} from AIMR, Tohoku University, Japan; by the Ministry of Education and Science of the Russian Federation in the framework of the “Increase Competitiveness” Program of NUST«MISiS» (№ К2-2014-013 and К2-2017-089 ) and by the National Natural Science Foundation of China (Grant No. 51701075 ). The authors also sincerely thank A. Yu. Churyumov for his assistance with calculations in Thermocalc and J. Jiang for her help with TMA analysis. Publisher Copyright: {\textcopyright} 2018",

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doi = "10.1016/j.matdes.2018.07.013",

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AU - Wang, Zhi

AU - Chen, Chunlin

AU - Ketov, Sergey V.

AU - Akagi, Kazuto

AU - Tsarkov, Andrey A.

AU - Ikuhara, Yuichi

AU - Louzguine-Luzgin, Dmitri V.

N1 - Funding Information: The authors gratefully acknowledge the financial support received from the World Premier International Research Center Initiative (WPI), MEXT , Japan; by the Fusion Research grant "Nucleation - structural formation dynamics of nanomaterials" from AIMR, Tohoku University, Japan; by the Ministry of Education and Science of the Russian Federation in the framework of the “Increase Competitiveness” Program of NUST«MISiS» (№ К2-2014-013 and К2-2017-089 ) and by the National Natural Science Foundation of China (Grant No. 51701075 ). The authors also sincerely thank A. Yu. Churyumov for his assistance with calculations in Thermocalc and J. Jiang for her help with TMA analysis. Publisher Copyright: © 2018

PY - 2018/10/15

Y1 - 2018/10/15

N2 - In the present work we study nanocrystallization of the Ti50Ni23Cu22Sn5 alloy within the supercooled liquid region by using a state-of-the-art experimental technique with elemental mapping at near-atomic resolution especially focusing on the incubation period which is still poorly understood from both the theoretical and experimental viewpoint. Molecular dynamics (MD) simulation results performed for the Ti55Ni45 liquid acting as a simplified model system of the (Ti,Sn)55(Ni,Cu)45 alloy illustrate the process of nucleation and provide some additional suggestions. The experiment and MD results indicate formation of nanometer-range chemical rearrangements which are supposed to reduce the energy barrier in the complex energy landscape finally leading to a high density of homogeneously nucleating crystallites after the completion of a macroscopically observed incubation period.

AB - In the present work we study nanocrystallization of the Ti50Ni23Cu22Sn5 alloy within the supercooled liquid region by using a state-of-the-art experimental technique with elemental mapping at near-atomic resolution especially focusing on the incubation period which is still poorly understood from both the theoretical and experimental viewpoint. Molecular dynamics (MD) simulation results performed for the Ti55Ni45 liquid acting as a simplified model system of the (Ti,Sn)55(Ni,Cu)45 alloy illustrate the process of nucleation and provide some additional suggestions. The experiment and MD results indicate formation of nanometer-range chemical rearrangements which are supposed to reduce the energy barrier in the complex energy landscape finally leading to a high density of homogeneously nucleating crystallites after the completion of a macroscopically observed incubation period.

KW - Chemical inhomogeneity

KW - Energy barrier

KW - Metallic glass

KW - Nucleation

KW - Supercooled liquid

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Local chemical ordering within the incubation period as a trigger for nanocrystallization of a highly supercooled Ti-based liquid

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Keywords

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