Orientation Gradients in Rapidly Solidified Pure Aluminum Thin Films: Comparison of Experiments and Phase-Field Crystal Simulations

Paul Jreidini; Tatu Pinomaa; Jörg M.K. Wiezorek; Joseph T. McKeown; Anssi Laukkanen; Nikolas Provatas

doi:10.1103/PhysRevLett.127.205701

Orientation Gradients in Rapidly Solidified Pure Aluminum Thin Films: Comparison of Experiments and Phase-Field Crystal Simulations

Paul Jreidini
, Tatu Pinomaa
, Jörg M.K. Wiezorek
, Joseph T. McKeown
, Anssi Laukkanen
, Nikolas Provatas

McGill University
University of Pittsburgh
Lawrence Livermore National Laboratory

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

28 Citations (Scopus)

Abstract

Rapid solidification experiments on thin film aluminum samples reveal the presence of lattice orientation gradients within crystallizing grains. To study this phenomenon, a single-component phase-field crystal (PFC) model that captures the properties of solid, liquid, and vapor phases is proposed to model pure aluminium quantitatively. A coarse-grained amplitude representation of this model is used to simulate solidification in samples approaching micrometer scales. The simulations reproduce the experimentally observed orientation gradients within crystallizing grains when grown at experimentally relevant rapid quenches. We propose a causal connection between defect formation and orientation gradients.

Original language	English
Article number	205701
Number of pages	6
Journal	Physical Review Letters
Volume	127
Issue number	20
Early online date	10 Nov 2021
DOIs	https://doi.org/10.1103/PhysRevLett.127.205701
Publication status	Published - 12 Nov 2021
MoE publication type	A1 Journal article-refereed

Funding

N. P. acknowledges the National Science and Engineering Research Council of Canada (NSERC) and the Canada Research Chairs (CRC) Program for support. T. P. and A. L. acknowledge the Academy of Finland, HEADFORE project, Grant No. 333226, for support. J. M. K. W. acknowledges the National Science Foundation under Grant No. DMR 1607922 for support. J. T. M. was funded under the auspices of the U.S. Department of Energy under Contract No. DE-AC52-07NA27344.

Keywords

crystal defects
crystal orienttation
liquid-solid phase transition
microstructure
polycrystalline materials
phase-field modeling
scanning transmission electron microscopy
solidification

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10.1103/PhysRevLett.127.205701Licence: CC BY

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title = "Orientation Gradients in Rapidly Solidified Pure Aluminum Thin Films: Comparison of Experiments and Phase-Field Crystal Simulations",

abstract = "Rapid solidification experiments on thin film aluminum samples reveal the presence of lattice orientation gradients within crystallizing grains. To study this phenomenon, a single-component phase-field crystal (PFC) model that captures the properties of solid, liquid, and vapor phases is proposed to model pure aluminium quantitatively. A coarse-grained amplitude representation of this model is used to simulate solidification in samples approaching micrometer scales. The simulations reproduce the experimentally observed orientation gradients within crystallizing grains when grown at experimentally relevant rapid quenches. We propose a causal connection between defect formation and orientation gradients.",

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author = "Paul Jreidini and Tatu Pinomaa and Wiezorek, \{J{\"o}rg M.K.\} and McKeown, \{Joseph T.\} and Anssi Laukkanen and Nikolas Provatas",

note = "Funding Information: N. P. acknowledges the National Science and Engineering Research Council of Canada (NSERC) and the Canada Research Chairs (CRC) Program for support. T. P. and A. L. acknowledge the Academy of Finland, HEADFORE project, Grant No. 333226, for support. J. M. K. W. acknowledges the National Science Foundation under Grant No. DMR 1607922 for support. J. T. M. was funded under the auspices of the U.S. Department of Energy under Contract No. DE-AC52-07NA27344. Publisher Copyright: {\textcopyright} 2021 authors. Published by the American Physical Society.",

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AU - Pinomaa, Tatu

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AU - McKeown, Joseph T.

AU - Laukkanen, Anssi

AU - Provatas, Nikolas

N1 - Funding Information: N. P. acknowledges the National Science and Engineering Research Council of Canada (NSERC) and the Canada Research Chairs (CRC) Program for support. T. P. and A. L. acknowledge the Academy of Finland, HEADFORE project, Grant No. 333226, for support. J. M. K. W. acknowledges the National Science Foundation under Grant No. DMR 1607922 for support. J. T. M. was funded under the auspices of the U.S. Department of Energy under Contract No. DE-AC52-07NA27344. Publisher Copyright: © 2021 authors. Published by the American Physical Society.

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KW - crystal defects

KW - crystal orienttation

KW - liquid-solid phase transition

KW - microstructure

KW - polycrystalline materials

KW - phase-field modeling

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Orientation Gradients in Rapidly Solidified Pure Aluminum Thin Films: Comparison of Experiments and Phase-Field Crystal Simulations

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